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

Systemtic Name: 2-[5-(4-nitrophenyl)furan-2-yl]-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(4-nitrophenyl)-2-furyl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-[5-(4-nitrophenyl)-2-furanyl]-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(4-nitrophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-[5-(4-nitrophenyl)-2-furyl]-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H14N4O4S MolecularWeight: 418.42526

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4O4S/c22-12-16-20(26)23-19(24(21(16)30)14-4-2-1-3-5-14)18-11-10-17(29-18)13-6-8-15(9-7-13)25(27)28/h1-11,19,30H,(H,23,26)