2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-3-furoic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CO2)C(=O)O)C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CO2)C(=O)O)C3=C(OC=C3)C

InChI

InChI=1S/C15H15N3O4S/c1-3-18-13(10-4-6-21-9(10)2)16-17-15(18)23-8-12-11(14(19)20)5-7-22-12/h4-7H,3,8H2,1-2H3,(H,19,20)