7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-[[4-(4-chlorophenyl)sulfonylpiperazino]methyl]-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C23H22ClN5O3S2 MolecularWeight: 516.03548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H22ClN5O3S2/c1-16-3-2-4-17(13-16)22-26-29-21(30)14-19(25-23(29)33-22)15-27-9-11-28(12-10-27)34(31,32)20-7-5-18(24)6-8-20/h2-8,13-14H,9-12,15H2,1H3