N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-1-ium-2-ylsulfanyl-butanamide

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-1-ium-2-ylsulfanyl-butanamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-1-ium-2-ylsulfanyl-butanamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-pyridin-1-iumylthio)butanamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-1-ium-2-ylsulfanylbutanamide Traditional Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyridin-1-ium-2-ylthio)butyramide Formula: C12H15N4OS2+ MolecularWeight: 295.4037

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C)SC2=CC=CC=[NH+]2

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C)SC2=CC=CC=[NH+]2

InChI

InChI=1S/C12H14N4OS2/c1-3-9(19-10-6-4-5-7-13-10)11(17)14-12-16-15-8(2)18-12/h4-7,9H,3H2,1-2H3,(H,14,16,17)/p+1