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

Systemtic Name: 2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N-(4-propylphenyl)ethanamide Openeye Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-propylphenyl)acetamide CAS Name: 2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N-(4-propylphenyl)acetamide IUPAC Name: 2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(4-propylphenyl)acetamide Traditional Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-propylphenyl)acetamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-2-6-15-9-11-17(12-10-15)21-19(25)13-18-22-23-20(26)24(18)14-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3,(H,21,25)(H,23,26)