[2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester IUPAC Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-keto-ethyl] ester Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3S/c1-36-28-24(16-9-17-30-28)29(34)35-19-25(33)32-27(21-12-6-3-7-13-21)23-15-8-14-22(26(23)31-32)18-20-10-4-2-5-11-20/h2-7,9-13,16-18,23,27H,8,14-15,19H2,1H3