2-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(2-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2-chlorophenyl)-2-oxoethyl]thio]-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(2-chlorophenyl)-2-keto-ethyl]thio]-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H21ClN2O2S2 MolecularWeight: 481.02944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=CC=C4Cl)SC5=C3CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=CC=C4Cl)SC5=C3CCCC5

InChI

InChI=1S/C25H21ClN2O2S2/c1-15-10-12-16(13-11-15)28-24(30)22-18-7-3-5-9-21(18)32-23(22)27-25(28)31-14-20(29)17-6-2-4-8-19(17)26/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3