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

Systemtic Name: 2-[[5-(2-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(5-o-phenetyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-2-24-15-11-7-6-10-14(15)17-19-20-18(25-12-16(22)23)21(17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,22,23)