3-(4-methylphenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-2-ium-5-amine

Systemtic Name: 3-(4-methylphenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-2-ium-5-amine Openeye Name: 2-phenyl-3-(p-tolyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-2-ium-5-amine CAS Name: 3-(4-methylphenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-2-ium-5-amine IUPAC Name: 3-(4-methylphenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-2-ium-5-amine Traditional Name: [2-phenyl-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C22H17F3N3S+ MolecularWeight: 412.45069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C22H16F3N3S/c1-15-10-12-16(13-11-15)20-27-21(29-28(20)19-8-3-2-4-9-19)26-18-7-5-6-17(14-18)22(23,24)25/h2-14H,1H3/p+1