2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-furylmethyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetate IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-furfuryl)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetate Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=[N+](C(=NN2)SCC(=O)[O-])CC3=CC=CO3

Isomeric SMILES

COC1=CC=CC(=C1)C2=[N+](C(=NN2)SCC(=O)[O-])CC3=CC=CO3

InChI

InChI=1S/C16H15N3O4S/c1-22-12-5-2-4-11(8-12)15-17-18-16(24-10-14(20)21)19(15)9-13-6-3-7-23-13/h2-8H,9-10H2,1H3,(H,20,21)