3-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide

Systemtic Name: 3-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide CAS Name: 3-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]propanamide IUPAC Name: 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide Traditional Name: 3-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]propionamide Formula: C12H15N5OS MolecularWeight: 277.3454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCCC(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCCC(=O)N

InChI

InChI=1S/C12H15N5OS/c1-8-4-3-5-9(2)11(8)17-12(14-15-16-17)19-7-6-10(13)18/h3-5H,6-7H2,1-2H3,(H2,13,18)