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

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-phenylbutanoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic 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-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4S/c1-6-18(17-12-8-7-9-13-17)23(28)31-22-21(16(2)25-26(22)24(3,4)5)32-20-15-11-10-14-19(20)27(29)30/h7-15,18H,6H2,1-5H3