N-methyl-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide

Systemtic Name: N-methyl-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide Openeye Name: N-methyl-3-phenyl-2-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine bromide CAS Name: N-methyl-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide IUPAC Name: N-methyl-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide Traditional Name: methyl-[3-phenyl-2-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]amine bromide Formula: C16H16BrN3S MolecularWeight: 362.28734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(N=C(S2)NC)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(N=C(S2)NC)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H15N3S.BrH/c1-12-8-10-14(11-9-12)19-15(18-16(17-2)20-19)13-6-4-3-5-7-13;/h3-11H,1-2H3;1H