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

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-cyclohexylethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-cyclohexylacetate CAS Name: 2-cyclohexylacetic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 2-cyclohexylacetate Traditional Name: 2-cyclohexylacetic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-15-20(30-18-13-9-8-12-17(18)25(27)28)21(24(23-15)22(2,3)4)29-19(26)14-16-10-6-5-7-11-16/h8-9,12-13,16H,5-7,10-11,14H2,1-4H3