6-(3,4-dichlorophenyl)-2-(3-nitropyridin-2-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(3,4-dichlorophenyl)-2-(3-nitropyridin-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(3,4-dichlorophenyl)-2-[(3-nitro-2-pyridyl)sulfanyl]pyridine-3-carbonitrile CAS Name: 6-(3,4-dichlorophenyl)-2-[(3-nitro-2-pyridinyl)thio]-3-pyridinecarbonitrile IUPAC Name: 6-(3,4-dichlorophenyl)-2-(3-nitropyridin-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-(3,4-dichlorophenyl)-2-[(3-nitro-2-pyridyl)thio]nicotinonitrile Formula: C17H8Cl2N4O2S MolecularWeight: 403.24202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=C(C=CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SC2=C(C=CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H8Cl2N4O2S/c18-12-5-3-10(8-13(12)19)14-6-4-11(9-20)16(22-14)26-17-15(23(24)25)2-1-7-21-17/h1-8H