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

Systemtic Name: 5-methyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-methyl-4-[[(1-phenyl-5-tetrazolyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-methyl-4-[[(1-phenyltetrazol-5-yl)thio]methyl]-2-furoic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O3S/c1-9-10(7-12(21-9)13(19)20)8-22-14-15-16-17-18(14)11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,19,20)