2-(3-nitropyridin-2-yl)sulfanyl-6-propyl-pyridine-3-carbonitrile

Systemtic Name: 2-(3-nitropyridin-2-yl)sulfanyl-6-propyl-pyridine-3-carbonitrile Openeye Name: 2-[(3-nitro-2-pyridyl)sulfanyl]-6-propyl-pyridine-3-carbonitrile CAS Name: 2-[(3-nitro-2-pyridinyl)thio]-6-propyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-nitropyridin-2-yl)sulfanyl-6-propylpyridine-3-carbonitrile Traditional Name: 2-[(3-nitro-2-pyridyl)thio]-6-propyl-nicotinonitrile Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c1-2-4-11-7-6-10(9-15)13(17-11)21-14-12(18(19)20)5-3-8-16-14/h3,5-8H,2,4H2,1H3