3-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-4-(phenylmethylsulfanyl)-1,2,5-thiadiazole

Systemtic Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-4-(phenylmethylsulfanyl)-1,2,5-thiadiazole Openeye Name: 3-benzylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-1,2,5-thiadiazole CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-4-(phenylmethylthio)-1,2,5-thiadiazole IUPAC Name: 3-benzylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-1,2,5-thiadiazole Traditional Name: 3-(benzylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-1,2,5-thiadiazole Formula: C15H18N3S2+ MolecularWeight: 304.45352

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC=CC1)C2=NSN=C2SCC3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCC=CC1)C2=NSN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C15H18N3S2/c1-18(10-6-3-7-11-18)14-15(17-20-16-14)19-12-13-8-4-2-5-9-13/h2-6,8-9H,7,10-12H2,1H3/q+1