2-(1H-benzimidazol-2-ylsulfanyl)-1-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)ethanone Traditional Name: 1-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-(1H-benzimidazol-2-ylthio)ethanone Formula: C29H26N4OS MolecularWeight: 478.60794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)CSC4=NC5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)CSC4=NC5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C29H26N4OS/c34-26(19-35-29-30-24-16-7-8-17-25(24)31-29)33-28(21-12-5-2-6-13-21)23-15-9-14-22(27(23)32-33)18-20-10-3-1-4-11-20/h1-8,10-13,16-18,23,28H,9,14-15,19H2,(H,30,31)