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

Systemtic Name: 3-(4-bromophenyl)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-bromophenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-bromophenyl)-2-(phenylmethylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-3-(4-bromophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(4-bromophenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H19BrN2OS2 MolecularWeight: 483.44376

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2OS2/c24-16-10-12-17(13-11-16)26-22(27)20-18-8-4-5-9-19(18)29-21(20)25-23(26)28-14-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2