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

Systemtic Name: 2-(3-phenylprop-2-enylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-cinnamylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-(3-phenylprop-2-enylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-(3-phenylprop-2-enylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-(cinnamylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C20H20N2S MolecularWeight: 320.4512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC=CC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC=CC3=CC=CC=C3

InChI

InChI=1S/C20H20N2S/c21-15-18-14-17-11-5-2-6-12-19(17)22-20(18)23-13-7-10-16-8-3-1-4-9-16/h1,3-4,7-10,14H,2,5-6,11-13H2