4-(4-bromophenyl)-N-phenyl-3-(1,2,4-triazol-4-yl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-(4-bromophenyl)-N-phenyl-3-(1,2,4-triazol-4-yl)-1,3-thiazol-3-ium-2-amine Openeye Name: 4-(4-bromophenyl)-N-phenyl-3-(1,2,4-triazol-4-yl)thiazol-3-ium-2-amine CAS Name: 4-(4-bromophenyl)-N-phenyl-3-(1,2,4-triazol-4-yl)-2-thiazol-3-iumamine IUPAC Name: 4-(4-bromophenyl)-N-phenyl-3-(1,2,4-triazol-4-yl)-1,3-thiazol-3-ium-2-amine Traditional Name: [4-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C17H13BrN5S+ MolecularWeight: 399.28762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)N4C=NN=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)N4C=NN=C4

InChI

InChI=1S/C17H12BrN5S/c18-14-8-6-13(7-9-14)16-10-24-17(21-15-4-2-1-3-5-15)23(16)22-11-19-20-12-22/h1-12H/p+1