3-[4-methyl-5-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C16H20N4O2S/c1-10-4-6-12(7-5-10)15(22)11(2)23-16-19-18-14(20(16)3)9-8-13(17)21/h4-7,11H,8-9H2,1-3H3,(H2,17,21)/t11-/m0/s1