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

Systemtic Name: 2-[5-(2-fluorophenyl)furan-2-yl]-3-(2-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(2-fluorophenyl)-2-furyl]-3-(2-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(2-fluorophenyl)-2-furanyl]-4-mercapto-3-(2-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(2-fluorophenyl)furan-2-yl]-3-(2-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(2-fluorophenyl)-2-furyl]-6-keto-4-mercapto-3-(2-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H16FN3O3S MolecularWeight: 421.444143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC=C1N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=CC=C4F

InChI

InChI=1S/C22H16FN3O3S/c1-28-18-9-5-4-8-16(18)26-20(25-21(27)14(12-24)22(26)30)19-11-10-17(29-19)13-6-2-3-7-15(13)23/h2-11,20,30H,1H3,(H,25,27)