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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate CAS Name: 2-ethoxy-1-naphthalenecarboxylic acid [2-tert-butyl-5-methyl-4-[(4-methylphenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate Traditional Name: 2-ethoxynaphthalene-1-carboxylic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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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=C(C=C4)C

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)OC3=C(C(=NN3C(C)(C)C)C)SC4=CC=C(C=C4)C

InChI

InChI=1S/C28H30N2O3S/c1-7-32-23-17-14-20-10-8-9-11-22(20)24(23)27(31)33-26-25(19(3)29-30(26)28(4,5)6)34-21-15-12-18(2)13-16-21/h8-17H,7H2,1-6H3