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

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 3-cyclohexylpropanoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic 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] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CCC3CCCCC3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CCC3CCCCC3)C(C)(C)C

InChI

InChI=1S/C23H31N3O4S/c1-16-21(31-19-13-9-8-12-18(19)26(28)29)22(25(24-16)23(2,3)4)30-20(27)15-14-17-10-6-5-7-11-17/h8-9,12-13,17H,5-7,10-11,14-15H2,1-4H3