2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1H-pyrimidin-6-one Formula: C12H9BrN2O2S MolecularWeight: 325.18106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC=CC(=O)N2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC=CC(=O)N2)Br

InChI

InChI=1S/C12H9BrN2O2S/c13-9-3-1-8(2-4-9)10(16)7-18-12-14-6-5-11(17)15-12/h1-6H,7H2,(H,14,15,17)