2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C23H22ClN5OS MolecularWeight: 451.97168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)CSC3=NN=C(N3C4CCCC4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)CSC3=NN=C(N3C4CCCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H22ClN5OS/c1-15-10-11-28-20(12-15)25-16(13-21(28)30)14-31-23-27-26-22(18-8-4-5-9-19(18)24)29(23)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3