6-(4-methoxy-3-nitro-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxy-3-nitro-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxy-3-nitro-phenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxy-3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxy-3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxy-3-nitro-phenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C12H8N4O4S MolecularWeight: 304.28132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O4S/c1-20-9-3-2-6(4-8(9)16(18)19)10-7(5-13)11(17)15-12(21)14-10/h2-4H,1H3,(H2,14,15,17,21)