2-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(tetrazol-1-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[4-(1-tetrazolyl)phenyl]thio]acetic acid IUPAC Name: 2-[4-(tetrazol-1-yl)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(tetrazol-1-yl)phenyl]thio]acetic acid Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NN=N2)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C=NN=N2)SCC(=O)O

InChI

InChI=1S/C9H8N4O2S/c14-9(15)5-16-8-3-1-7(2-4-8)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)