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

Systemtic Name: 4-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1)SCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-2-4-13-16-15(18-17-13)22-10-3-9-21-12-7-5-11(6-8-12)14(19)20/h5-8H,2-4,9-10H2,1H3,(H,19,20)(H,16,17,18)