5-[(E)-2-(3-bromophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 5-[(E)-2-(3-bromophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[(E)-2-(3-bromophenyl)vinyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[(E)-2-(3-bromophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[(E)-2-(3-bromophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-[(E)-2-(3-bromophenyl)vinyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C22H17BrN3S+ MolecularWeight: 435.35948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=N[N+](=C(S2)C=CC3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=N[N+](=C(S2)/C=C/C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H17BrN3S/c23-18-9-7-8-17(16-18)14-15-21-26(20-12-5-2-6-13-20)25-22(27-21)24-19-10-3-1-4-11-19/h1-16H,(H,24,25)/q+1/b15-14+