2-cyano-N-(4-methylphenyl)-2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]ethanethioamide

Systemtic Name: 2-cyano-N-(4-methylphenyl)-2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]ethanethioamide Openeye Name: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-2-cyano-N-(p-tolyl)thioacetamide CAS Name: 2-cyano-N-(4-methylphenyl)-2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]ethanethioamide IUPAC Name: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-2-cyano-N-(4-methylphenyl)ethanethioamide Traditional Name: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-2-cyano-N-(p-tolyl)thioacetamide Formula: C19H17N5S MolecularWeight: 347.43678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)C(C#N)C2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)C(C#N)C2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C19H17N5S/c1-13-7-9-15(10-8-13)21-19(25)16(12-20)18-22-17(23-24-18)11-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,21,25)(H,22,23,24)