2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1-phenylcyclopropyl)methyl]ethanamide

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1-phenylcyclopropyl)methyl]ethanamide Openeye Name: N-[(1-phenylcyclopropyl)methyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide Traditional Name: N-[(1-phenylcyclopropyl)methyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-15-7-9-16(10-8-15)19-23-24-20(27)25(19)13-18(26)22-14-21(11-12-21)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,22,26)(H,24,27)