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

Systemtic Name: N-(4-tert-butylphenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: N-(4-tert-butylphenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: N-(4-tert-butylphenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: N-(4-tert-butylphenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: (4-tert-butylphenyl)-[5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]amine Formula: C24H22Cl2N3S+ MolecularWeight: 455.42258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22Cl2N3S/c1-24(2,3)16-9-12-18(13-10-16)27-23-28-29(19-7-5-4-6-8-19)22(30-23)20-14-11-17(25)15-21(20)26/h4-15H,1-3H3,(H,27,28)/q+1