2-methyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid

Systemtic Name: 2-methyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid Openeye Name: 2-methyl-3-(1-phenyltetrazol-5-yl)sulfanyl-propanoic acid CAS Name: 2-methyl-3-[(1-phenyl-5-tetrazolyl)thio]propanoic acid IUPAC Name: 2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid Traditional Name: 2-methyl-3-[(1-phenyltetrazol-5-yl)thio]propionic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O2S/c1-8(10(16)17)7-18-11-12-13-14-15(11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,17)