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

Systemtic Name: 2-[5-(3-chlorophenyl)furan-2-yl]-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(3-chlorophenyl)-2-furyl]-6-oxo-3-(p-tolyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(3-chlorophenyl)-2-furanyl]-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(3-chlorophenyl)furan-2-yl]-3-(4-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(3-chlorophenyl)-2-furyl]-6-keto-4-mercapto-3-(p-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O2S/c1-13-5-7-16(8-6-13)26-20(25-21(27)17(12-24)22(26)29)19-10-9-18(28-19)14-3-2-4-15(23)11-14/h2-11,20,29H,1H3,(H,25,27)