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

Systemtic Name: 2-[[4-azanyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C11H12N4O2S/c1-7-3-2-4-8(5-7)10-13-14-11(15(10)12)18-6-9(16)17/h2-5H,6,12H2,1H3,(H,16,17)