1-[2-[(2S)-butan-2-yl]sulfanylethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-[(2S)-butan-2-yl]sulfanylethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[(1S)-1-methylpropyl]sulfanylethyl]triazole-4-carboxylate CAS Name: 1-[2-[[(2S)-butan-2-yl]thio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[(2S)-butan-2-yl]sulfanylethyl]triazole-4-carboxylate Traditional Name: 1-[2-[[(1S)-1-methylpropyl]thio]ethyl]triazole-4-carboxylate Formula: C9H14N3O2S- MolecularWeight: 228.29136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCCN1C=C(N=N1)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)SCCN1C=C(N=N1)C(=O)[O-]

InChI

InChI=1S/C9H15N3O2S/c1-3-7(2)15-5-4-12-6-8(9(13)14)10-11-12/h6-7H,3-5H2,1-2H3,(H,13,14)/p-1/t7-/m0/s1