2-methylsulfanyl-6-(3-nitrophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-6-(3-nitrophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-6-(3-nitrophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-6-(3-nitrophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-methylsulfanyl-6-(3-nitrophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(methylthio)-6-(3-nitrophenyl)-1H-pyrimidine-5-carbonitrile Formula: C12H8N4O3S MolecularWeight: 288.28192

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H8N4O3S/c1-20-12-14-10(9(6-13)11(17)15-12)7-3-2-4-8(5-7)16(18)19/h2-5H,1H3,(H,14,15,17)