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

Systemtic Name: (2S)-1-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: (2S)-1-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)propan-1-one Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS/c1-13-9-11-15(12-10-13)17(23)14(2)24-19-21-20-18(22(19)3)16-7-5-4-6-8-16/h4-12,14H,1-3H3/t14-/m0/s1