2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C=C(C(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C#N

Isomeric SMILES

C1CCCC2=C(CC1)C=C(C(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C#N

InChI

InChI=1S/C20H19ClN2O2S/c21-16-9-19-18(24-12-25-19)8-15(16)11-26-20-14(10-22)7-13-5-3-1-2-4-6-17(13)23-20/h7-9H,1-6,11-12H2