N-(3-methylphenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(m-tolyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-methylphenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(3-methylphenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N(CC2=CC=CC=C2)C3=CC=CC(=C3)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N(CC2=CC=CC=C2)C3=CC=CC(=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-3-12-24-20(27)22-23-21(24)28-15-19(26)25(14-17-9-5-4-6-10-17)18-11-7-8-16(2)13-18/h4-11,13H,3,12,14-15H2,1-2H3,(H,22,27)