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

Systemtic Name: 5-(2,4-dichlorophenyl)-N-(4-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(2,4-dichlorophenyl)-4-phenyl-N-(p-tolyl)-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(2,4-dichlorophenyl)-N-(4-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(2,4-dichlorophenyl)-N-(4-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-(p-tolyl)amine Formula: C21H16Cl2N3S+ MolecularWeight: 413.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16Cl2N3S/c1-14-7-10-16(11-8-14)24-21-25-26(17-5-3-2-4-6-17)20(27-21)18-12-9-15(22)13-19(18)23/h2-13H,1H3,(H,24,25)/q+1