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

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate CAS Name: 2-ethoxy-1-naphthalenecarboxylic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methylpyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate Traditional Name: 2-ethoxynaphthalene-1-carboxylic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C27H27ClN2O3S MolecularWeight: 495.03288

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O3S/c1-6-32-22-16-11-18-9-7-8-10-21(18)23(22)26(31)33-25-24(17(2)29-30(25)27(3,4)5)34-20-14-12-19(28)13-15-20/h7-16H,6H2,1-5H3