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

Systemtic Name: 2-phenacylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Openeye Name: 2-phenacylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile CAS Name: 2-(phenacylthio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile IUPAC Name: 2-phenacylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Traditional Name: 2-(phenacylthio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCCC2=C(CC1)C=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H20N2OS/c21-13-17-12-16-10-4-1-2-7-11-18(16)22-20(17)24-14-19(23)15-8-5-3-6-9-15/h3,5-6,8-9,12H,1-2,4,7,10-11,14H2