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

Systemtic Name: 4-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H17N3O2S/c1-9(2)7-12-15-14(17-16-12)20-8-10-3-5-11(6-4-10)13(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H,15,16,17)/p-1