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

Systemtic Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N,N-diphenyl-butanamide Openeye Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N,N-diphenyl-butanamide CAS Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-N,N-diphenylbutanamide IUPAC Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N,N-diphenylbutanamide Traditional Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-N,N-diphenyl-butyramide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(CCCCC4)C=C3C#N

Isomeric SMILES

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(CCCCC4)C=C3C#N

InChI

InChI=1S/C27H27N3OS/c1-2-25(32-26-21(19-28)18-20-12-6-3-11-17-24(20)29-26)27(31)30(22-13-7-4-8-14-22)23-15-9-5-10-16-23/h4-5,7-10,13-16,18,25H,2-3,6,11-12,17H2,1H3