N-(4-acetamidophenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O2S/c1-13(25)20-15-7-9-16(10-8-15)21-18(26)11-17-22-23-19(27)24(17)12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,20,25)(H,21,26)(H,23,27)