5-methyl-2-(4-nitrophenyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-methyl-2-(4-nitrophenyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-methyl-2-(4-nitrophenyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 5-methyl-2-[(4-nitrophenyl)thio]-3-pyridinecarbonitrile IUPAC Name: 5-methyl-2-(4-nitrophenyl)sulfanylpyridine-3-carbonitrile Traditional Name: 5-methyl-2-[(4-nitrophenyl)thio]nicotinonitrile Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(C(=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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