2-(3-nitropyridin-2-yl)sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(3-nitropyridin-2-yl)sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Openeye Name: 2-[(3-nitro-2-pyridyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile CAS Name: 2-[(3-nitro-2-pyridinyl)thio]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile IUPAC Name: 2-(3-nitropyridin-2-yl)sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Traditional Name: 2-[(3-nitro-2-pyridyl)thio]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C=C(C(=N2)SC3=C(C=CC=N3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCCC2=C(CC1)C=C(C(=N2)SC3=C(C=CC=N3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H16N4O2S/c18-11-13-10-12-6-3-1-2-4-7-14(12)20-16(13)24-17-15(21(22)23)8-5-9-19-17/h5,8-10H,1-4,6-7H2