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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] naphthalene-1-carboxylate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] naphthalene-1-carboxylate CAS Name: 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] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C27H19N3O4S MolecularWeight: 481.52246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H19N3O4S/c1-18-25(35-24-17-8-7-16-23(24)30(32)33)26(29(28-18)20-12-3-2-4-13-20)34-27(31)22-15-9-11-19-10-5-6-14-21(19)22/h2-17H,1H3