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N-[3-{[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}-5-({2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamide

View entire compound with spectra: 1 MS (GC)

N-[3-{[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}-5-({2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamide
SpectraBase Compound ID 3rpUtljaP9t
InChI InChI=1S/C18H17ClN10O2S3/c19-7-14(30)22-16-21-11(8-33-16)6-12-23-26-18(34-9-13-24-25-17(32)28(13)20)29(12)27-15(31)10-4-2-1-3-5-10/h1-5,8H,6-7,9,20H2,(H,25,32)(H,27,31)(H,21,22,30)
InChIKey PDJLIOMKTCTSIZ-UHFFFAOYSA-N
Mol Weight 537.04 g/mol
Molecular Formula C18H17ClN10O2S3
Exact Mass 536.038661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DL8b7rwUV5T
Name N-[3-{[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}-5-({2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClN10O2S3
InChI InChI=1S/C18H17ClN10O2S3/c19-7-14(30)22-16-21-11(8-33-16)6-12-23-26-18(34-9-13-24-25-17(32)28(13)20)29(12)27-15(31)10-4-2-1-3-5-10/h1-5,8H,6-7,9,20H2,(H,25,32)(H,27,31)(H,21,22,30)
InChIKey PDJLIOMKTCTSIZ-UHFFFAOYSA-N
Molecular Weight 537.035 g/mol
SMILES N1C(N(C(CSc2nnc([n]2NC(=O)c2ccccc2)Cc2nc(NC(=O)CCl)sc2)=N1)N)=S
SPLASH splash10-004r-0923570000-0fe336dbbf3fb029ed8f
Source of Spectrum EMC-42-814-9a
Synonyms N-(3-(((4-amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)thio)-5-((2-(2-chloroacetamido)thiazol-4-yl)methyl)-4H-1,2,4-triazol-4-yl)benzamide N-[3-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylthio]-5-[[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]methyl]-1,2,4-triazol-4-yl]benzamide N-[3-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methyl]-1,2,4-triazol-4-yl]benzamide N-[3-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5-[[2-[(2-chloroacetyl)amino]thiazol-4-yl]methyl]-1,2,4-triazol-4-yl]benzamide N-[3-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5-[[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]methyl]-1,2,4-triazol-4-yl]benzamide
Wiley ID 1735148