2-methyl-4-propan-2-ylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: 2-methyl-4-propan-2-ylsulfanyl-pyrazole-3-carboxylate Openeye Name: 4-isopropylsulfanyl-2-methyl-pyrazole-3-carboxylate CAS Name: 2-methyl-4-(propan-2-ylthio)-3-pyrazolecarboxylate IUPAC Name: 2-methyl-4-propan-2-ylsulfanylpyrazole-3-carboxylate Traditional Name: 4-(isopropylthio)-2-methyl-pyrazole-3-carboxylate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(N(N=C1)C)C(=O)[O-]

Isomeric SMILES

CC(C)SC1=C(N(N=C1)C)C(=O)[O-]

InChI

InChI=1S/C8H12N2O2S/c1-5(2)13-6-4-9-10(3)7(6)8(11)12/h4-5H,1-3H3,(H,11,12)/p-1