5-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-1,2,4-thiadiazole

Systemtic Name: 5-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-1,2,4-thiadiazole Openeye Name: 5-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-1,2,4-thiadiazole CAS Name: 5-[4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]phenyl]-1,2,4-thiadiazole IUPAC Name: 5-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-1,2,4-thiadiazole Traditional Name: 5-[4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]phenyl]-1,2,4-thiadiazole Formula: C14H11N3OS2 MolecularWeight: 301.38664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=CC=C(C=C2)C3=NC=NS3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=CC=C(C=C2)C3=NC=NS3)[O-]

InChI

InChI=1S/C14H11N3OS2/c18-17-8-2-1-3-13(17)19-9-11-4-6-12(7-5-11)14-15-10-16-20-14/h1-8,10H,9H2