3-(4-bromophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-bromophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-bromophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-bromophenyl)-2-[(4-fluorophenyl)methylthio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-bromophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-bromophenyl)-2-[(4-fluorobenzyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H18BrFN2OS2 MolecularWeight: 501.434223

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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)Br)SCC5=CC=C(C=C5)F

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Br)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C23H18BrFN2OS2/c24-15-7-11-17(12-8-15)27-22(28)20-18-3-1-2-4-19(18)30-21(20)26-23(27)29-13-14-5-9-16(25)10-6-14/h5-12H,1-4,13H2