[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] cyclohexanecarboxylate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] cyclohexanecarboxylate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S/c1-16-21(31-20-15-9-8-14-19(20)26(28)29)22(25(24-16)18-12-6-3-7-13-18)30-23(27)17-10-4-2-5-11-17/h3,6-9,12-15,17H,2,4-5,10-11H2,1H3