1-[2-(2-methylpropylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(2-methylpropylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(2-isobutylsulfanylethyl)triazole-4-carboxylate CAS Name: 1-[2-(2-methylpropylthio)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(2-methylpropylsulfanyl)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(isobutylthio)ethyl]triazole-4-carboxylate Formula: C9H14N3O2S- MolecularWeight: 228.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCN1C=C(N=N1)C(=O)[O-]

Isomeric SMILES

CC(C)CSCCN1C=C(N=N1)C(=O)[O-]

InChI

InChI=1S/C9H15N3O2S/c1-7(2)6-15-4-3-12-5-8(9(13)14)10-11-12/h5,7H,3-4,6H2,1-2H3,(H,13,14)/p-1