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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H14N6O2S/c24-16(25)11-26-17-20-19-15(23(17)12-6-2-1-3-7-12)10-22-14-9-5-4-8-13(14)18-21-22/h1-9H,10-11H2,(H,24,25)