2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Openeye Name: 2-(3-pyridylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile CAS Name: 2-(3-pyridinylmethylthio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile IUPAC Name: 2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Traditional Name: 2-(3-pyridylmethylthio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C=C(C(=N2)SCC3=CN=CC=C3)C#N

Isomeric SMILES

C1CCCC2=C(CC1)C=C(C(=N2)SCC3=CN=CC=C3)C#N

InChI

InChI=1S/C18H19N3S/c19-11-16-10-15-7-3-1-2-4-8-17(15)21-18(16)22-13-14-6-5-9-20-12-14/h5-6,9-10,12H,1-4,7-8,13H2