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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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