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

Systemtic Name: 3-(4-chlorophenyl)-2-[5-(2-chlorophenyl)furan-2-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-chlorophenyl)-2-[5-(2-chlorophenyl)-2-furyl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(4-chlorophenyl)-2-[5-(2-chlorophenyl)-2-furanyl]-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-chlorophenyl)-2-[5-(2-chlorophenyl)furan-2-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 3-(4-chlorophenyl)-2-[5-(2-chlorophenyl)-2-furyl]-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H13Cl2N3O2S MolecularWeight: 442.31782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)Cl)S)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)Cl)S)C#N)Cl

InChI

InChI=1S/C21H13Cl2N3O2S/c22-12-5-7-13(8-6-12)26-19(25-20(27)15(11-24)21(26)29)18-10-9-17(28-18)14-3-1-2-4-16(14)23/h1-10,19,29H,(H,25,27)