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

Systemtic Name: (2S)-1-(4-methylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: (2S)-1-(4-methylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-methylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)propan-1-one Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4OS/c1-12-4-6-14(7-5-12)16(23)13(2)24-18-21-20-17(22(18)3)15-8-10-19-11-9-15/h4-11,13H,1-3H3/t13-/m0/s1