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

Systemtic Name: 2-(2-phenoxyethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-(2-phenoxyethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-(2-phenoxyethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-(2-phenoxyethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-(2-phenoxyethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCCOC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCCOC3=CC=CC=C3

InChI

InChI=1S/C19H20N2OS/c20-14-16-13-15-7-3-1-6-10-18(15)21-19(16)23-12-11-22-17-8-4-2-5-9-17/h2,4-5,8-9,13H,1,3,6-7,10-12H2