N-methyl-6-phenyl-[1,2,4]thiadiazolo[2,3-a]pyridin-4-ium-2-amine bromide

Systemtic Name: N-methyl-6-phenyl-[1,2,4]thiadiazolo[2,3-a]pyridin-4-ium-2-amine bromide Openeye Name: N-methyl-6-phenyl-[1,2,4]thiadiazolo[2,3-a]pyridin-4-ium-2-amine bromide CAS Name: N-methyl-6-phenyl-[1,2,4]thiadiazolo[2,3-a]pyridin-4-ium-2-amine bromide IUPAC Name: N-methyl-6-phenyl-[1,2,4]thiadiazolo[2,3-a]pyridin-4-ium-2-amine bromide Traditional Name: methyl-(6-phenyl-[1,2,4]thiadiazolo[2,3-a]pyridin-4-ium-2-yl)amine bromide Formula: C13H12BrN3S MolecularWeight: 322.22348

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=[N+](S1)C=C(C=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CNC1=NC2=[N+](S1)C=C(C=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C13H11N3S.BrH/c1-14-13-15-12-8-7-11(9-16(12)17-13)10-5-3-2-4-6-10;/h2-9H,1H3;1H