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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2S)-2-phenylbutyl]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-3-16(17-9-5-4-6-10-17)13-22-19(26)14-25-20(23-24-21(25)27)18-11-7-8-15(2)12-18/h4-12,16H,3,13-14H2,1-2H3,(H,22,26)(H,24,27)/t16-/m1/s1