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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-benzyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-benzyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-benzyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)O)OC

InChI

InChI=1S/C19H19N3O4S/c1-25-15-9-8-14(10-16(15)26-2)18-20-21-19(27-12-17(23)24)22(18)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,23,24)