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

Systemtic Name: 3-(4-chlorophenyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-chlorophenyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-chlorophenyl)-2-(phenacylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-chlorophenyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-chlorophenyl)-2-(phenacylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H19ClN2O2S2 MolecularWeight: 467.00286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H19ClN2O2S2/c25-16-10-12-17(13-11-16)27-23(29)21-18-8-4-5-9-20(18)31-22(21)26-24(27)30-14-19(28)15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2