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

Systemtic Name: N-(4-butylphenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: N-(4-butylphenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: N-(4-butylphenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: N-(4-butylphenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: (4-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:

CCCCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=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/c1-2-3-7-17-10-13-19(14-11-17)27-24-28-29(20-8-5-4-6-9-20)23(30-24)21-15-12-18(25)16-22(21)26/h4-6,8-16H,2-3,7H2,1H3,(H,27,28)/q+1