4-[3-[(4-azanyl-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[(4-azanyl-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]propoxy]benzoic acid Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(N1N)SCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(CC)C1=NN=C(N1N)SCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H24N4O3S/c1-3-12(4-2)15-19-20-17(21(15)18)25-11-5-10-24-14-8-6-13(7-9-14)16(22)23/h6-9,12H,3-5,10-11,18H2,1-2H3,(H,22,23)