2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-N-phenyl-acetamide Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS/c20-12-15-11-14-7-3-1-6-10-17(14)22-19(15)24-13-18(23)21-16-8-4-2-5-9-16/h2,4-5,8-9,11H,1,3,6-7,10,13H2,(H,21,23)