N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methyl-1,2,3,4-tetrazol-4-ium-1-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methyl-1,2,3,4-tetrazol-4-ium-1-yl)sulfanylmethyl]benzamide Openeye Name: N-(5-methylisoxazol-3-yl)-4-[(4-methyltetrazol-4-ium-1-yl)sulfanylmethyl]benzamide CAS Name: N-(5-methyl-3-isoxazolyl)-4-[[(4-methyl-1-tetrazol-4-iumyl)thio]methyl]benzamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methyltetrazol-4-ium-1-yl)sulfanylmethyl]benzamide Traditional Name: N-(5-methylisoxazol-3-yl)-4-[[(4-methyltetrazol-4-ium-1-yl)thio]methyl]benzamide Formula: C14H15N6O2S+ MolecularWeight: 331.3729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)CSN3C=[N+](N=N3)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)CSN3C=[N+](N=N3)C

InChI

InChI=1S/C14H14N6O2S/c1-10-7-13(16-22-10)15-14(21)12-5-3-11(4-6-12)8-23-20-9-19(2)17-18-20/h3-7,9H,8H2,1-2H3/p+1