(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-ethoxynaphthalene-1-carboxylate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-ethoxynaphthalene-1-carboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-ethoxynaphthalene-1-carboxylate CAS Name: 2-ethoxy-1-naphthalenecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2-ethoxynaphthalene-1-carboxylate Traditional Name: 2-ethoxynaphthalene-1-carboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3S/c1-6-31-22-17-16-19-12-10-11-15-21(19)23(22)26(30)32-25-24(33-20-13-8-7-9-14-20)18(2)28-29(25)27(3,4)5/h7-17H,6H2,1-5H3