4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-chloranyl-4-methyl-phenyl)benzamide

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-chloranyl-4-methyl-phenyl)benzamide Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-chloro-4-methyl-phenyl)benzamide CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3-chloro-4-methylphenyl)benzamide IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-chloro-4-methylphenyl)benzamide Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3-chloro-4-methyl-phenyl)benzamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)N)Cl

InChI

InChI=1S/C17H16ClN5OS/c1-10-2-7-13(8-14(10)18)20-15(24)12-5-3-11(4-6-12)9-25-17-21-16(19)22-23-17/h2-8H,9H2,1H3,(H,20,24)(H3,19,21,22,23)