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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate CAS Name: 2-ethoxy-1-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] 2-ethoxynaphthalene-1-carboxylate Traditional Name: 2-ethoxynaphthalene-1-carboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C29H23ClN2O3S MolecularWeight: 515.02252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)OC3=C(C(=NN3C4=CC=CC=C4)C)SC5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)OC3=C(C(=NN3C4=CC=CC=C4)C)SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H23ClN2O3S/c1-3-34-25-18-13-20-9-7-8-12-24(20)26(25)29(33)35-28-27(36-23-16-14-21(30)15-17-23)19(2)31-32(28)22-10-5-4-6-11-22/h4-18H,3H2,1-2H3