4-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 4-[5-(2-ethoxy-2-oxo-ethyl)sulfanyltetrazol-1-yl]benzoic acid CAS Name: 4-[5-[(2-ethoxy-2-oxoethyl)thio]-1-tetrazolyl]benzoic acid IUPAC Name: 4-[5-(2-ethoxy-2-oxoethyl)sulfanyltetrazol-1-yl]benzoic acid Traditional Name: 4-[5-[(2-ethoxy-2-keto-ethyl)thio]tetrazol-1-yl]benzoic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H12N4O4S/c1-2-20-10(17)7-21-12-13-14-15-16(12)9-5-3-8(4-6-9)11(18)19/h3-6H,2,7H2,1H3,(H,18,19)