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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C15H13N3O3S2/c1-21-11-6-4-10(5-7-11)18-14(12-3-2-8-22-12)16-17-15(18)23-9-13(19)20/h2-8H,9H2,1H3,(H,19,20)