3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylsulfanyl)-1,2,5-thiadiazole

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylsulfanyl)-1,2,5-thiadiazole Openeye Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylsulfanyl)-1,2,5-thiadiazole CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-4-(3-phenylpropylthio)-1,2,5-thiadiazole IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylsulfanyl)-1,2,5-thiadiazole Traditional Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-phenylpropylthio)-1,2,5-thiadiazole Formula: C17H18N3S2+ MolecularWeight: 328.47492

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NSN=C2SCCCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NSN=C2SCCCC3=CC=CC=C3

InChI

InChI=1S/C17H18N3S2/c1-20-11-5-10-15(13-20)16-17(19-22-18-16)21-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13H,6,9,12H2,1H3/q+1