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

Systemtic Name: 5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(1-phenyltetrazol-5-yl)thio]methyl]-2-furoic acid Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O3S/c18-12(19)11-7-6-10(20-11)8-21-13-14-15-16-17(13)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)