[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=NNC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=NNC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C21H16N4O3S2/c26-19(12-28-21(27)20-13-5-1-2-6-14(13)22-23-20)25-16(18-8-4-10-30-18)11-15(24-25)17-7-3-9-29-17/h1-10,16H,11-12H2,(H,22,23)/t16-/m0/s1