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

Systemtic Name: N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide Openeye Name: N-methyl-N-[(1S)-1-phenylethyl]-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide IUPAC Name: N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide Traditional Name: N-methyl-N-[(1S)-1-phenylethyl]-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-15-9-11-18(12-10-15)20-22-23-21(27)25(20)14-13-19(26)24(3)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3,(H,23,27)/t16-/m0/s1