2-[[4-(4-propylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(4-propylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-propylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-propylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-propylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-propylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2C=NN=C2SCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-2-3-10-4-6-11(7-5-10)16-9-14-15-13(16)19-8-12(17)18/h4-7,9H,2-3,8H2,1H3,(H,17,18)