(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) naphthalene-1-carboxylate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) naphthalene-1-carboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C(C)(C)C

InChI

InChI=1S/C25H24N2O2S/c1-17-22(30-19-13-6-5-7-14-19)23(27(26-17)25(2,3)4)29-24(28)21-16-10-12-18-11-8-9-15-20(18)21/h5-16H,1-4H3