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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)O)SC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C11H12N4O2S/c1-2-9(10(16)17)18-11-12-13-14-15(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,16,17)