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

Systemtic Name: N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: N-methyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: N-methyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]acetamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N(C)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N(C)[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-14-8-7-11-17(12-14)19-21-22-20(26)24(19)13-18(25)23(3)15(2)16-9-5-4-6-10-16/h4-12,15H,13H2,1-3H3,(H,22,26)/t15-/m0/s1