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

Systemtic Name: 2-(phenylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile CAS Name: 2-(phenylmethylthio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Formula: C19H20N2S MolecularWeight: 308.4405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2S/c20-13-17-12-16-10-6-1-2-7-11-18(16)21-19(17)22-14-15-8-4-3-5-9-15/h3-5,8-9,12H,1-2,6-7,10-11,14H2