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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-butylcyclohexane-1-carboxylate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-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] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O4S/c1-3-4-10-20-15-17-21(18-16-20)27(31)34-26-25(35-24-14-9-8-13-23(24)30(32)33)19(2)28-29(26)22-11-6-5-7-12-22/h5-9,11-14,20-21H,3-4,10,15-18H2,1-2H3