2-(pyridin-4-ylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Openeye Name: 2-(4-pyridylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile CAS Name: 2-(pyridin-4-ylmethylthio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Traditional Name: 2-(4-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=CC=NC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3S/c19-12-16-11-15-5-3-1-2-4-6-17(15)21-18(16)22-13-14-7-9-20-10-8-14/h7-11H,1-6,13H2