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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)SC5=C3CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)SC5=C3CCCC5

InChI

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