9-(1H-benzimidazol-2-ylsulfanyl)-4-phenylmethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

Systemtic Name: 9-(1H-benzimidazol-2-ylsulfanyl)-4-phenylmethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Openeye Name: 9-(1H-benzimidazol-2-ylsulfanyl)-4-benzyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine CAS Name: 9-(1H-benzimidazol-2-ylthio)-4-phenylmethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine IUPAC Name: 9-(1H-benzimidazol-2-ylsulfanyl)-4-phenylmethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Traditional Name: 9-(1H-benzimidazol-2-ylthio)-4-benzoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C=CN=C2C(C1)SC3=NC4=CC=CC=C4N3)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C=CN=C2C(C1)SC3=NC4=CC=CC=C4N3)OCC5=CC=CC=C5

InChI

InChI=1S/C24H23N3OS/c1-2-8-17(9-3-1)16-28-21-14-15-25-23-18(21)10-4-7-13-22(23)29-24-26-19-11-5-6-12-20(19)27-24/h1-3,5-6,8-9,11-12,14-15,22H,4,7,10,13,16H2,(H,26,27)