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

Systemtic Name: 4-methyl-5-(4-methylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 4-methyl-N-phenyl-5-(p-tolyl)-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 4-methyl-5-(4-methylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 4-methyl-5-(4-methylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [4-methyl-5-(p-tolyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C16H16ClN3S MolecularWeight: 317.83634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C16H16N3S.ClH/c1-12-8-10-13(11-9-12)15-19(2)18-16(20-15)17-14-6-4-3-5-7-14;/h3-11H,1-2H3,(H,17,18);1H/q+1;/p-1