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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-cyclohexylpropanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CCC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CCC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-18-24(33-22-15-9-8-14-21(22)28(30)31)25(27(26-18)20-12-6-3-7-13-20)32-23(29)17-16-19-10-4-2-5-11-19/h3,6-9,12-15,19H,2,4-5,10-11,16-17H2,1H3