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

Systemtic Name: 2-[5-(3,4-dichlorophenyl)furan-2-yl]-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(3,4-dichlorophenyl)-2-furyl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(3,4-dichlorophenyl)-2-furanyl]-4-mercapto-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(3,4-dichlorophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(3,4-dichlorophenyl)-2-furyl]-6-keto-4-mercapto-3-phenyl-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)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

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