3-(3-chloranyl-4-methyl-phenyl)-7-methyl-2-(2-oxidanylidenepropylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-7-methyl-2-(2-oxidanylidenepropylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-acetonylsulfanyl-3-(3-chloro-4-methyl-phenyl)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(3-chloro-4-methylphenyl)-7-methyl-2-(2-oxopropylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(3-chloro-4-methylphenyl)-7-methyl-2-(2-oxopropylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(acetonylthio)-3-(3-chloro-4-methyl-phenyl)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H21ClN2O2S2 MolecularWeight: 432.98664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C)C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C)C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C21H21ClN2O2S2/c1-11-4-7-15-17(8-11)28-19-18(15)20(26)24(21(23-19)27-10-13(3)25)14-6-5-12(2)16(22)9-14/h5-6,9,11H,4,7-8,10H2,1-3H3