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

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[5-(2-fluorophenyl)furan-2-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(2,4-dimethylphenyl)-2-[5-(2-fluorophenyl)-2-furyl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(2,4-dimethylphenyl)-2-[5-(2-fluorophenyl)-2-furanyl]-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(2,4-dimethylphenyl)-2-[5-(2-fluorophenyl)furan-2-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 3-(2,4-dimethylphenyl)-2-[5-(2-fluorophenyl)-2-furyl]-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C23H18FN3O2S MolecularWeight: 419.471323

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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=C4F)C

Isomeric SMILES

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

InChI

InChI=1S/C23H18FN3O2S/c1-13-7-8-18(14(2)11-13)27-21(26-22(28)16(12-25)23(27)30)20-10-9-19(29-20)15-5-3-4-6-17(15)24/h3-11,21,30H,1-2H3,(H,26,28)