6-methyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 6-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 6-methyl-2-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 6-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2S/c1-14-6-5-9-17-21-16(12-18(26)25(14)17)13-28-20-23-22-19(27)24(20)11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,22,27)