2-(4-methylphenyl)sulfanyl-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-(4-methylphenyl)sulfanyl-5-nitro-pyridine-3-carbonitrile Openeye Name: 5-nitro-2-(p-tolylsulfanyl)pyridine-3-carbonitrile CAS Name: 2-[(4-methylphenyl)thio]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-(4-methylphenyl)sulfanyl-5-nitropyridine-3-carbonitrile Traditional Name: 5-nitro-2-(p-tolylthio)nicotinonitrile Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=C(C=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=C(C=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O2S/c1-9-2-4-12(5-3-9)19-13-10(7-14)6-11(8-15-13)16(17)18/h2-6,8H,1H3