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

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-(3,5-dimethylphenyl)ethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-(3,5-dimethylphenyl)acetate CAS Name: 2-(3,5-dimethylphenyl)acetic 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-(3,5-dimethylphenyl)acetate Traditional Name: 2-(3,5-dimethylphenyl)acetic 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:

CC1=CC(=CC(=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3[N+](=O)[O-])C

InChI

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