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

Systemtic Name: 4-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2)SCCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H17N3O3S/c19-14(20)11-4-6-12(7-5-11)21-8-1-9-22-15-16-13(17-18-15)10-2-3-10/h4-7,10H,1-3,8-9H2,(H,19,20)(H,16,17,18)