6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile

Systemtic Name: 6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile Openeye Name: 6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile CAS Name: 6-[[4-(1-methyl-3-pyridin-1-iumyl)-1,2,5-thiadiazol-3-yl]thio]hexanenitrile IUPAC Name: 6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile Traditional Name: 6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]thio]hexanenitrile Formula: C14H17N4S2+ MolecularWeight: 305.44158

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NSN=C2SCCCCCC#N

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NSN=C2SCCCCCC#N

InChI

InChI=1S/C14H17N4S2/c1-18-9-6-7-12(11-18)13-14(17-20-16-13)19-10-5-3-2-4-8-15/h6-7,9,11H,2-5,10H2,1H3/q+1