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

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2,2-diphenylethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic 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] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C28H27N3O4S/c1-19-25(36-23-18-12-11-17-22(23)31(33)34)26(30(29-19)28(2,3)4)35-27(32)24(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18,24H,1-4H3