5-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-methylsulfanylphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-methylsulfanylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(3-chloro-4-fluoro-phenyl)-1-[(4-methylsulfanylphenyl)methyl]triazole-4-carboxamide CAS Name: 5-amino-N-(3-chloro-4-fluorophenyl)-1-[[4-(methylthio)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(3-chloro-4-fluorophenyl)-1-[(4-methylsulfanylphenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-N-(3-chloro-4-fluoro-phenyl)-1-[4-(methylthio)benzyl]triazole-4-carboxamide Formula: C17H15ClFN5OS MolecularWeight: 391.850303

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

CSC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C17H15ClFN5OS/c1-26-12-5-2-10(3-6-12)9-24-16(20)15(22-23-24)17(25)21-11-4-7-14(19)13(18)8-11/h2-8H,9,20H2,1H3,(H,21,25)