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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H21ClN2O3S2 MolecularWeight: 497.02884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)SC5=C3CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)SC5=C3CCCC5

InChI

InChI=1S/C25H21ClN2O3S2/c1-31-18-12-10-17(11-13-18)28-24(30)22-19-4-2-3-5-21(19)33-23(22)27-25(28)32-14-20(29)15-6-8-16(26)9-7-15/h6-13H,2-5,14H2,1H3