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

Systemtic Name: 2-[5-(3,4-dichlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(3,4-dichlorophenyl)-2-furyl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(3,4-dichlorophenyl)-2-furanyl]-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(3,4-dichlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(3,4-dichlorophenyl)-2-furyl]-6-keto-4-mercapto-3-(4-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H15Cl2N3O3S MolecularWeight: 472.3438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=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/C22H15Cl2N3O3S/c1-29-14-5-3-13(4-6-14)27-20(26-21(28)15(11-25)22(27)31)19-9-8-18(30-19)12-2-7-16(23)17(24)10-12/h2-10,20,31H,1H3,(H,26,28)