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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dichlorophenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dichlorophenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4-dichlorophenyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dichlorophenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4-dichlorophenyl)benzamide Formula: C16H13Cl2N5OS MolecularWeight: 394.27832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NNC(=N2)N)C(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NNC(=N2)N)C(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H13Cl2N5OS/c17-12-5-4-11(7-13(12)18)20-14(24)10-3-1-2-9(6-10)8-25-16-21-15(19)22-23-16/h1-7H,8H2,(H,20,24)(H3,19,21,22,23)