[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-naphthalen-2-yloxyethanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-naphthalen-2-yloxyethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-(2-naphthyloxy)acetate CAS Name: 2-(2-naphthalenyloxy)acetic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 2-naphthalen-2-yloxyacetate Traditional Name: 2-(2-naphthoxy)acetic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)COC3=CC4=CC=CC=C4C=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)COC3=CC4=CC=CC=C4C=C3)C(C)(C)C

InChI

InChI=1S/C26H25N3O5S/c1-17-24(35-22-12-8-7-11-21(22)29(31)32)25(28(27-17)26(2,3)4)34-23(30)16-33-20-14-13-18-9-5-6-10-19(18)15-20/h5-15H,16H2,1-4H3