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

Systemtic Name: 4-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C13H14N3O3S- MolecularWeight: 292.33356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-9-14-13(16-15-9)20-8-2-7-19-11-5-3-10(4-6-11)12(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)(H,14,15,16)/p-1