3-(5-ethylsulfanyl-1,2,3,4-tetrazol-1-yl)benzoic acid

Systemtic Name: 3-(5-ethylsulfanyl-1,2,3,4-tetrazol-1-yl)benzoic acid Openeye Name: 3-(5-ethylsulfanyltetrazol-1-yl)benzoic acid CAS Name: 3-[5-(ethylthio)-1-tetrazolyl]benzoic acid IUPAC Name: 3-(5-ethylsulfanyltetrazol-1-yl)benzoic acid Traditional Name: 3-[5-(ethylthio)tetrazol-1-yl]benzoic acid Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=NN1C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCSC1=NN=NN1C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C10H10N4O2S/c1-2-17-10-11-12-13-14(10)8-5-3-4-7(6-8)9(15)16/h3-6H,2H2,1H3,(H,15,16)