[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-naphthalen-1-ylethanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-naphthalen-1-ylethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-(1-naphthyl)acetate CAS Name: 2-(1-naphthalenyl)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-1-ylacetate Traditional Name: 2-(1-naphthyl)acetic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CC3=CC=CC4=CC=CC=C43)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CC3=CC=CC4=CC=CC=C43)C(C)(C)C

InChI

InChI=1S/C26H25N3O4S/c1-17-24(34-22-15-8-7-14-21(22)29(31)32)25(28(27-17)26(2,3)4)33-23(30)16-19-12-9-11-18-10-5-6-13-20(18)19/h5-15H,16H2,1-4H3