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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-p-phenetyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H22ClFN2O2S2 MolecularWeight: 501.035783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=C(C=CC=C4Cl)F)SC5=C3CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=C(C=CC=C4Cl)F)SC5=C3CCCC5

InChI

InChI=1S/C25H22ClFN2O2S2/c1-2-31-16-12-10-15(11-13-16)29-24(30)22-17-6-3-4-9-21(17)33-23(22)28-25(29)32-14-18-19(26)7-5-8-20(18)27/h5,7-8,10-13H,2-4,6,9,14H2,1H3