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

Systemtic Name: N-(4-bromophenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: N-(4-bromophenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: N-(4-bromophenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: N-(4-bromophenyl)-5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: (4-bromophenyl)-[5-(2,4-dichlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]amine Formula: C20H13BrCl2N3S+ MolecularWeight: 478.21232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(SC(=N2)NC3=CC=C(C=C3)Br)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(SC(=N2)NC3=CC=C(C=C3)Br)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H13BrCl2N3S/c21-13-6-9-15(10-7-13)24-20-25-26(16-4-2-1-3-5-16)19(27-20)17-11-8-14(22)12-18(17)23/h1-12H,(H,24,25)/q+1