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3-[5-Amino-1-(4-chlorophenyl)-1H-1,2,4-triazol-3-ylamino]-5-(4-chlorophenyl)furan-2(5H)-one
SpectraBase Compound ID Gj9kBbJAEWW
InChI InChI=1S/C18H13Cl2N5O2/c19-11-3-1-10(2-4-11)15-9-14(16(26)27-15)22-18-23-17(21)25(24-18)13-7-5-12(20)6-8-13/h1-9,15H,(H3,21,22,23,24)
InChIKey ZGJLXUKULLROAK-UHFFFAOYSA-N
Mol Weight 402.24 g/mol
Molecular Formula C18H13Cl2N5O2
Exact Mass 401.04463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VHIdhlIi5R
Name 3-[5-Amino-1-(4-chlorophenyl)-1H-1,2,4-triazol-3-ylamino]-5-(4-chlorophenyl)furan-2(5H)-one
Alternate Name(s) 4-[[5-azanyl-1-(4-chlorophenyl)-1,2,4-triazol-3-yl]amino]-2-(4-chlorophenyl)-2H-furan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13Cl2N5O2
InChI InChI=1S/C18H13Cl2N5O2/c19-11-3-1-10(2-4-11)15-9-14(16(26)27-15)22-18-23-17(21)25(24-18)13-7-5-12(20)6-8-13/h1-9,15H,(H3,21,22,23,24)
InChIKey ZGJLXUKULLROAK-UHFFFAOYSA-N
Molecular Weight 402.241 g/mol
SMILES N(C=1C(OC(C1)c1ccc(cc1)Cl)=O)c1nc([n](n1)-c1ccc(cc1)Cl)N
SPLASH splash10-0udi-0901200000-335a0361f77e263ec42b
Source of Spectrum F4-43-1123-11d
Wiley ID 1675438