4-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(1-butyltetrazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(1-butyl-5-tetrazolyl)methylthio]benzoic acid IUPAC Name: 4-[(1-butyltetrazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(1-butyltetrazol-5-yl)methylthio]benzoic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H16N4O2S/c1-2-3-8-17-12(14-15-16-17)9-20-11-6-4-10(5-7-11)13(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)