6-(furan-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(furan-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(2-furyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(2-furanyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(furan-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(2-furyl)-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidine-5-carbonitrile Formula: C16H10N4O4S MolecularWeight: 354.34

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=COC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H10N4O4S/c17-8-12-14(13-2-1-7-24-13)18-16(19-15(12)21)25-9-10-3-5-11(6-4-10)20(22)23/h1-7H,9H2,(H,18,19,21)