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

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] naphthalene-1-carboxylate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] naphthalene-1-carboxylate CAS Name: 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] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C25H23ClN2O2S MolecularWeight: 450.98032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=CC4=CC=CC=C43)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=CC4=CC=CC=C43)C(C)(C)C

InChI

InChI=1S/C25H23ClN2O2S/c1-16-22(31-19-14-12-18(26)13-15-19)23(28(27-16)25(2,3)4)30-24(29)21-11-7-9-17-8-5-6-10-20(17)21/h5-15H,1-4H3