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

Systemtic Name: 2-[5-(2-fluorophenyl)furan-2-yl]-3-(3-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(2-fluorophenyl)-2-furyl]-3-(m-tolyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(2-fluorophenyl)-2-furanyl]-4-mercapto-3-(3-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(2-fluorophenyl)furan-2-yl]-3-(3-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(2-fluorophenyl)-2-furyl]-6-keto-4-mercapto-3-(m-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H16FN3O2S MolecularWeight: 405.444743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=CC=C4F

InChI

InChI=1S/C22H16FN3O2S/c1-13-5-4-6-14(11-13)26-20(25-21(27)16(12-24)22(26)29)19-10-9-18(28-19)15-7-2-3-8-17(15)23/h2-11,20,29H,1H3,(H,25,27)