N-(5-methyl-1,2-oxazol-3-yl)-3-[(4-phenyl-1,2,3,4-tetrazol-4-ium-1-yl)sulfanyl]propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[(4-phenyl-1,2,3,4-tetrazol-4-ium-1-yl)sulfanyl]propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-(4-phenyltetrazol-4-ium-1-yl)sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-[(4-phenyl-1-tetrazol-4-iumyl)thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenyltetrazol-4-ium-1-yl)sulfanylpropanamide Traditional Name: N-(5-methylisoxazol-3-yl)-3-[(4-phenyltetrazol-4-ium-1-yl)thio]propionamide Formula: C14H15N6O2S+ MolecularWeight: 331.3729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CCSN2C=[N+](N=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CCSN2C=[N+](N=N2)C3=CC=CC=C3

InChI

InChI=1S/C14H14N6O2S/c1-11-9-13(16-22-11)15-14(21)7-8-23-20-10-19(17-18-20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3/p+1