2-[5-(4-bromophenyl)furan-2-yl]-3-(4-chlorophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-[5-(4-bromophenyl)furan-2-yl]-3-(4-chlorophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(4-bromophenyl)-2-furyl]-3-(4-chlorophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(4-bromophenyl)-2-furanyl]-3-(4-chlorophenyl)-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(4-bromophenyl)furan-2-yl]-3-(4-chlorophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(4-bromophenyl)-2-furyl]-3-(4-chlorophenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H13BrClN3O2S MolecularWeight: 486.76882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)Cl)S)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)Cl)S)C#N)Br

InChI

InChI=1S/C21H13BrClN3O2S/c22-13-3-1-12(2-4-13)17-9-10-18(28-17)19-25-20(27)16(11-24)21(29)26(19)15-7-5-14(23)6-8-15/h1-10,19,29H,(H,25,27)