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

Systemtic Name: 2-(phenylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-(phenylmethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2S/c19-12-16-11-15-9-5-2-6-10-17(15)20-18(16)21-13-14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,13H2