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

Systemtic Name: 2-[5-(2-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(2-chlorophenyl)-2-furyl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(2-chlorophenyl)-2-furanyl]-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(2-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(2-chlorophenyl)-2-furyl]-6-keto-4-mercapto-3-(4-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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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=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O3S/c1-28-14-8-6-13(7-9-14)26-20(25-21(27)16(12-24)22(26)30)19-11-10-18(29-19)15-4-2-3-5-17(15)23/h2-11,20,30H,1H3,(H,25,27)