2-tert-butyl-4-propylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: 2-tert-butyl-4-propylsulfanyl-pyrazole-3-carboxylate Openeye Name: 2-tert-butyl-4-propylsulfanyl-pyrazole-3-carboxylate CAS Name: 2-tert-butyl-4-(propylthio)-3-pyrazolecarboxylate IUPAC Name: 2-tert-butyl-4-propylsulfanylpyrazole-3-carboxylate Traditional Name: 2-tert-butyl-4-(propylthio)pyrazole-3-carboxylate Formula: C11H17N2O2S- MolecularWeight: 241.32988

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(N(N=C1)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCSC1=C(N(N=C1)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C11H18N2O2S/c1-5-6-16-8-7-12-13(11(2,3)4)9(8)10(14)15/h7H,5-6H2,1-4H3,(H,14,15)/p-1