1-[(4-methylsulfanylphenyl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(methylthio)phenyl]methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 2-keto-1-[4-(methylthio)benzyl]-5-nitro-nicotinonitrile Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O3S/c1-21-13-4-2-10(3-5-13)8-16-9-12(17(19)20)6-11(7-15)14(16)18/h2-6,9H,8H2,1H3