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

Systemtic Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-phenyl-butanamide CAS Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-N-phenylbutanamide IUPAC Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-phenylbutanamide Traditional Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-N-phenyl-butyramide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(CCCCC3)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(CCCCC3)C=C2C#N

InChI

InChI=1S/C21H23N3OS/c1-2-19(20(25)23-17-10-6-4-7-11-17)26-21-16(14-22)13-15-9-5-3-8-12-18(15)24-21/h4,6-7,10-11,13,19H,2-3,5,8-9,12H2,1H3,(H,23,25)