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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] naphthalene-2-carboxylate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C27H19ClN2O2S MolecularWeight: 470.96996

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C27H19ClN2O2S/c1-18-25(33-24-15-13-22(28)14-16-24)26(30(29-18)23-9-3-2-4-10-23)32-27(31)21-12-11-19-7-5-6-8-20(19)17-21/h2-17H,1H3