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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate CAS Name: 2-ethoxy-1-naphthalenecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-ethoxynaphthalene-1-carboxylate Traditional Name: 2-ethoxynaphthalene-1-carboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C29H23N3O5S MolecularWeight: 525.57502

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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=CC=C5[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)OC3=C(C(=NN3C4=CC=CC=C4)C)SC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C29H23N3O5S/c1-3-36-24-18-17-20-11-7-8-14-22(20)26(24)29(33)37-28-27(38-25-16-10-9-15-23(25)32(34)35)19(2)30-31(28)21-12-5-4-6-13-21/h4-18H,3H2,1-2H3