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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylsulfanylphenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylsulfanylphenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-[4-(methylthio)phenyl]benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylsulfanylphenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-[4-(methylthio)phenyl]benzamide Formula: C17H17N5OS2 MolecularWeight: 371.47978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

InChI

InChI=1S/C17H17N5OS2/c1-24-14-7-5-13(6-8-14)19-15(23)12-4-2-3-11(9-12)10-25-17-20-16(18)21-22-17/h2-9H,10H2,1H3,(H,19,23)(H3,18,20,21,22)