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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]acetamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4OS/c1-13-7-6-10-16(11-13)18-21-22-19(25)23(18)12-17(24)20-14(2)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,20,24)(H,22,25)/t14-/m0/s1