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

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate CAS Name: 2-ethoxy-1-naphthalenecarboxylic 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-ethoxynaphthalene-1-carboxylate Traditional Name: 2-ethoxynaphthalene-1-carboxylic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)OC3=C(C(=NN3C(C)(C)C)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)OC3=C(C(=NN3C(C)(C)C)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O5S/c1-6-34-21-16-15-18-11-7-8-12-19(18)23(21)26(31)35-25-24(17(2)28-29(25)27(3,4)5)36-22-14-10-9-13-20(22)30(32)33/h7-16H,6H2,1-5H3