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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) naphthalene-2-carboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) naphthalene-2-carboxylate Traditional Name: naphthalene-2-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=CC4=CC=CC=C4C=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C=C3)C(C)(C)C

InChI

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