2-tert-butyl-4-(4-methylphenyl)sulfanyl-pyrazole-3-carboxylate

Systemtic Name: 2-tert-butyl-4-(4-methylphenyl)sulfanyl-pyrazole-3-carboxylate Openeye Name: 2-tert-butyl-4-(p-tolylsulfanyl)pyrazole-3-carboxylate CAS Name: 2-tert-butyl-4-[(4-methylphenyl)thio]-3-pyrazolecarboxylate IUPAC Name: 2-tert-butyl-4-(4-methylphenyl)sulfanylpyrazole-3-carboxylate Traditional Name: 2-tert-butyl-4-(p-tolylthio)pyrazole-3-carboxylate Formula: C15H17N2O2S- MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C15H18N2O2S/c1-10-5-7-11(8-6-10)20-12-9-16-17(15(2,3)4)13(12)14(18)19/h5-9H,1-4H3,(H,18,19)/p-1