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

Systemtic Name: 3-(4-methylphenyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-methylphenyl)-2-(phenacylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-methylphenyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H22N2O2S2 MolecularWeight: 446.58438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=CC=C4)SC5=C3CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=CC=C4)SC5=C3CCCC5

InChI

InChI=1S/C25H22N2O2S2/c1-16-11-13-18(14-12-16)27-24(29)22-19-9-5-6-10-21(19)31-23(22)26-25(27)30-15-20(28)17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3