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

Systemtic Name: 4-(4-fluorophenyl)-5-(3-methylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 4-(4-fluorophenyl)-5-(m-tolyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 4-(4-fluorophenyl)-5-(3-methylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 4-(4-fluorophenyl)-5-(3-methylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [4-(4-fluorophenyl)-5-(m-tolyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C21H17ClFN3S MolecularWeight: 397.896183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F.[Cl-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F.[Cl-]

InChI

InChI=1S/C21H17FN3S.ClH/c1-15-6-5-7-16(14-15)20-25(19-12-10-17(22)11-13-19)24-21(26-20)23-18-8-3-2-4-9-18;/h2-14H,1H3,(H,23,24);1H/q+1;/p-1