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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H24N4OS/c1-3-8-18(16-10-5-4-6-11-16)22-19(26)14-25-20(23-24-21(25)27)17-12-7-9-15(2)13-17/h4-7,9-13,18H,3,8,14H2,1-2H3,(H,22,26)(H,24,27)/t18-/m0/s1