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

Systemtic Name: 5-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furoic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

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)