5-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furoate Formula: C17H16N3O4S- MolecularWeight: 358.39164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(O2)C(=O)[O-])C3=CC=CC=C3OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(O2)C(=O)[O-])C3=CC=CC=C3OC

InChI

InChI=1S/C17H17N3O4S/c1-3-20-15(12-6-4-5-7-13(12)23-2)18-19-17(20)25-10-11-8-9-14(24-11)16(21)22/h4-9H,3,10H2,1-2H3,(H,21,22)/p-1