5-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]methyl]-2-furoic acid Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C15H14N4O4S/c1-9-3-5-12(22-2)11(7-9)19-15(16-17-18-19)24-8-10-4-6-13(23-10)14(20)21/h3-7H,8H2,1-2H3,(H,20,21)