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

Systemtic Name: N-(4-tert-butylphenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-tert-butylphenyl)acetamide CAS Name: N-(4-tert-butylphenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetamide IUPAC Name: 2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(4-tert-butylphenyl)acetamide Traditional Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-tert-butylphenyl)acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-21(2,3)16-9-11-17(12-10-16)22-19(26)13-18-23-24-20(27)25(18)14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,26)(H,24,27)