N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C13H17N4OS2+ MolecularWeight: 309.43028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)CSC2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)CSC2=CC=CC=[NH+]2

InChI

InChI=1S/C13H16N4OS2/c1-9(2)7-12-16-17-13(20-12)15-10(18)8-19-11-5-3-4-6-14-11/h3-6,9H,7-8H2,1-2H3,(H,15,17,18)/p+1