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

Systemtic Name: 4-[3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]propoxy]benzoate IUPAC Name: 4-[3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C16H20N3O3S- MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H21N3O3S/c1-11(2)10-14-17-16(19-18-14)23-9-3-8-22-13-6-4-12(5-7-13)15(20)21/h4-7,11H,3,8-10H2,1-2H3,(H,20,21)(H,17,18,19)/p-1