[2-oxidanylidene-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-[3-(2-thienyl)-7-(2-thienylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester IUPAC Name: [2-oxo-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[7-(2-thenylidene)-3-(2-thienyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)COC(=O)C4=CC=C(C=C4)C#N)C5=CC=CS5

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)COC(=O)C4=CC=C(C=C4)C#N)C5=CC=CS5

InChI

InChI=1S/C26H21N3O3S2/c27-15-17-8-10-18(11-9-17)26(31)32-16-23(30)29-25(22-7-3-13-34-22)21-6-1-4-19(24(21)28-29)14-20-5-2-12-33-20/h2-3,5,7-14,21,25H,1,4,6,16H2