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

Systemtic Name: (2S)-1-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: (2S)-1-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)propan-1-one Formula: C18H17N3OS MolecularWeight: 323.41208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3OS/c1-12-8-10-14(11-9-12)16(22)13(2)23-18-19-17(20-21-18)15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H,19,20,21)/t13-/m0/s1