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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H12N6O2S/c1-17-10(14-15-12(17)21-7-11(19)20)6-18-9-5-3-2-4-8(9)13-16-18/h2-5H,6-7H2,1H3,(H,19,20)