[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C26H19N3O5S MolecularWeight: 485.51116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1[C@H](N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O5S/c30-24(16-34-26(31)23-12-13-25(35-23)29(32)33)28-22(18-7-2-1-3-8-18)15-21(27-28)20-11-10-17-6-4-5-9-19(17)14-20/h1-14,22H,15-16H2/t22-/m0/s1