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

Systemtic Name: 2-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-6-keto-4-mercapto-3-(4-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H15ClN4O5S MolecularWeight: 482.8963

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN4O5S/c1-31-14-5-2-12(3-6-14)26-20(25-21(28)16(11-24)22(26)33)19-9-8-18(32-19)15-7-4-13(27(29)30)10-17(15)23/h2-10,20,33H,1H3,(H,25,28)