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

Systemtic Name: 2-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(4-bromophenyl)-2-furyl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(4-bromophenyl)-2-furanyl]-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(4-bromophenyl)-2-furyl]-6-keto-4-mercapto-3-(4-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H16BrN3O3S MolecularWeight: 482.34974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O3S/c1-28-16-8-6-15(7-9-16)26-20(25-21(27)17(12-24)22(26)30)19-11-10-18(29-19)13-2-4-14(23)5-3-13/h2-11,20,30H,1H3,(H,25,27)