(E)-3-phenyl-N-[(3-propyl-2H-1,2,3,4-tetrazol-3-ium-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[(3-propyl-2H-1,2,3,4-tetrazol-3-ium-5-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[(3-propyl-2H-tetrazol-3-ium-5-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-phenyl-N-[[(3-propyl-2H-tetrazol-3-ium-5-yl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-phenyl-N-[(3-propyl-2H-tetrazol-3-ium-5-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[(3-propyl-2H-tetrazol-3-ium-5-yl)thiocarbamoyl]acrylamide Formula: C14H17N6OS+ MolecularWeight: 317.38938

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=NC(=NN1)NC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC[N+]1=NC(=NN1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H16N6OS/c1-2-10-20-18-13(17-19-20)16-14(22)15-12(21)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,15,16,18,21,22)/p+1/b9-8+