For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-[3-{[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}-5-({2-[(benzoyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamide
SpectraBase Compound ID FEMl4g9RncL
InChI InChI=1S/C23H20N10O2S3/c24-32-18(28-29-22(32)36)13-38-23-30-27-17(33(23)31-20(35)15-9-5-2-6-10-15)11-16-12-37-21(25-16)26-19(34)14-7-3-1-4-8-14/h1-10,12H,11,13,24H2,(H,29,36)(H,31,35)(H,25,26,34)
InChIKey JKFKRUDRZJPJKI-UHFFFAOYSA-N
Mol Weight 564.66 g/mol
Molecular Formula C23H20N10O2S3
Exact Mass 564.093283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5HF7Su2eJhf
Name N-[3-{[(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}-5-({2-[(benzoyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamide
Alternate Name(s) N-(4-((5-(((4-amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)thio)-4-benzamido-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-yl)benzamide N-[4-[[5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylthio]-4-benzamido-1,2,4-triazol-3-yl]methyl]-2-thiazolyl]benzamide N-[4-[[5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-4-benzamido-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]benzamide N-[4-[[5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfanyl]-4-benzamido-1,2,4-triazol-3-yl]methyl]thiazol-2-yl]benzamide N-[4-[[5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-4-benzamido-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N10O2S3
InChI InChI=1S/C23H20N10O2S3/c24-32-18(28-29-22(32)36)13-38-23-30-27-17(33(23)31-20(35)15-9-5-2-6-10-15)11-16-12-37-21(25-16)26-19(34)14-7-3-1-4-8-14/h1-10,12H,11,13,24H2,(H,29,36)(H,31,35)(H,25,26,34)
InChIKey JKFKRUDRZJPJKI-UHFFFAOYSA-N
Molecular Weight 564.661 g/mol
SMILES N1C(N(C(CSc2nnc([n]2NC(=O)c2ccccc2)Cc2nc(NC(=O)c3ccccc3)sc2)=N1)N)=S
SPLASH splash10-0aor-0395260000-fcc3be92ae86f5ed759c
Source of Spectrum EMC-42-815-9c
Wiley ID 1735147