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

Systemtic Name: (2R)-1-(4-methylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: (2R)-1-(4-methylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-methylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)propan-1-one Formula: C15H19N3OS MolecularWeight: 289.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3OS/c1-9(2)14-16-15(18-17-14)20-11(4)13(19)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3,(H,16,17,18)/t11-/m1/s1