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

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] naphthalene-2-carboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic 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] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC4=CC=CC=C4C=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC4=CC=CC=C4C=C3)C(C)(C)C

InChI

InChI=1S/C25H23N3O4S/c1-16-22(33-21-12-8-7-11-20(21)28(30)31)23(27(26-16)25(2,3)4)32-24(29)19-14-13-17-9-5-6-10-18(17)15-19/h5-15H,1-4H3