5-(4-dimethylaminophenyl)-N-(2-methoxy-5-methyl-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 5-(4-dimethylaminophenyl)-N-(2-methoxy-5-methyl-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(4-dimethylaminophenyl)-N-(2-methoxy-5-methyl-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(4-dimethylaminophenyl)-N-(2-methoxy-5-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(4-dimethylaminophenyl)-N-(2-methoxy-5-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [4-[5-(2-methoxy-5-methyl-anilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]phenyl]-dimethyl-amine Formula: C24H25N4OS+ MolecularWeight: 417.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H25N4OS/c1-17-10-15-22(29-4)21(16-17)25-24-26-28(20-8-6-5-7-9-20)23(30-24)18-11-13-19(14-12-18)27(2)3/h5-16H,1-4H3,(H,25,26)/q+1