5-(3-bromanyl-4-methoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 5-(3-bromanyl-4-methoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(3-bromo-4-methoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(3-bromo-4-methoxyphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(3-bromo-4-methoxyphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(3-bromo-4-methoxy-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C21H17BrN3OS+ MolecularWeight: 439.34818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H17BrN3OS/c1-26-19-13-12-15(14-18(19)22)20-25(17-10-6-3-7-11-17)24-21(27-20)23-16-8-4-2-5-9-16/h2-14H,1H3,(H,23,24)/q+1