S-(1-phenyl-1,2,3,4-tetrazol-5-yl) 2,2-dimethylpropanethioate

Systemtic Name: S-(1-phenyl-1,2,3,4-tetrazol-5-yl) 2,2-dimethylpropanethioate Openeye Name: S-(1-phenyltetrazol-5-yl) 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-(1-phenyl-5-tetrazolyl) ester IUPAC Name: S-(1-phenyltetrazol-5-yl) 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-(1-phenyltetrazol-5-yl) ester Formula: C12H14N4OS MolecularWeight: 262.33076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4OS/c1-12(2,3)10(17)18-11-13-14-15-16(11)9-7-5-4-6-8-9/h4-8H,1-3H3