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

Systemtic Name: 5-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-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-methoxyphenyl)amine Formula: C21H16Cl2N3OS+ MolecularWeight: 429.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16Cl2N3OS/c1-27-17-10-8-15(9-11-17)24-21-25-26(16-5-3-2-4-6-16)20(28-21)18-12-7-14(22)13-19(18)23/h2-13H,1H3,(H,24,25)/q+1