2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-16-11(8-7-10-5-3-2-4-6-10)14-15-13(16)19-9-12(17)18/h2-6H,7-9H2,1H3,(H,17,18)