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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-cyclohexylethanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-cyclohexylacetate CAS Name: 2-cyclohexylacetic 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-cyclohexylacetate Traditional Name: 2-cyclohexylacetic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-17-23(32-21-15-9-8-14-20(21)27(29)30)24(26(25-17)19-12-6-3-7-13-19)31-22(28)16-18-10-4-2-5-11-18/h3,6-9,12-15,18H,2,4-5,10-11,16H2,1H3