2-(pyridin-3-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(pyridin-3-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-(3-pyridylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-(3-pyridinylmethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-(pyridin-3-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-(3-pyridylmethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CN=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CN=CC=C3

InChI

InChI=1S/C17H17N3S/c18-10-15-9-14-6-2-1-3-7-16(14)20-17(15)21-12-13-5-4-8-19-11-13/h4-5,8-9,11H,1-3,6-7,12H2