5-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thenoate Formula: C12H14N3O2S2- MolecularWeight: 296.38846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCC2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCC2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C12H15N3O2S2/c1-7(2)5-10-13-12(15-14-10)18-6-8-3-4-9(19-8)11(16)17/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H,13,14,15)/p-1