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

Systemtic Name: 5-(2,4-dichlorophenyl)-N-(4-nitrophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(2,4-dichlorophenyl)-N-(4-nitrophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(2,4-dichlorophenyl)-N-(4-nitrophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(2,4-dichlorophenyl)-N-(4-nitrophenyl)-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]-(4-nitrophenyl)amine Formula: C20H13Cl2N4O2S+ MolecularWeight: 444.31382

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)[N+](=O)[O-])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)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H13Cl2N4O2S/c21-13-6-11-17(18(22)12-13)19-25(15-4-2-1-3-5-15)24-20(29-19)23-14-7-9-16(10-8-14)26(27)28/h1-12H,(H,23,24)/q+1