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

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] naphthalene-2-carboxylate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] naphthalene-2-carboxylate CAS Name: 2-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-2-carboxylate Traditional Name: naphthalene-2-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=CC4=CC=CC=C4C=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC4=CC=CC=C4C=C3)C(C)(C)C

InChI

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