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

Systemtic Name: 2-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-3-(2-methylallyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-3-(2-methylallyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H20Cl2N2O2S2 MolecularWeight: 479.4424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)Cl)Cl)SC4=C2CCCC4

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)Cl)Cl)SC4=C2CCCC4

InChI

InChI=1S/C22H20Cl2N2O2S2/c1-12(2)10-26-21(28)19-14-5-3-4-6-18(14)30-20(19)25-22(26)29-11-17(27)13-7-8-15(23)16(24)9-13/h7-9H,1,3-6,10-11H2,2H3