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

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 4-butoxybenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O5S/c1-6-7-16-32-19-14-12-18(13-15-19)24(29)33-23-22(17(2)26-27(23)25(3,4)5)34-21-11-9-8-10-20(21)28(30)31/h8-15H,6-7,16H2,1-5H3