2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C24H19N5OS MolecularWeight: 425.50556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C=C1

InChI

InChI=1S/C24H19N5OS/c1-17-12-13-21-25-19(14-22(30)28(21)15-17)16-31-24-27-26-23(18-8-4-2-5-9-18)29(24)20-10-6-3-7-11-20/h2-15H,16H2,1H3