4-(5-bromanylthiophen-2-yl)-3-ethyl-N-(4-phenoxyphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-3-ethyl-N-(4-phenoxyphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 4-(5-bromo-2-thienyl)-3-ethyl-N-(4-phenoxyphenyl)thiazol-3-ium-2-amine CAS Name: 4-(5-bromo-2-thiophenyl)-3-ethyl-N-(4-phenoxyphenyl)-2-thiazol-3-iumamine IUPAC Name: 4-(5-bromothiophen-2-yl)-3-ethyl-N-(4-phenoxyphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [4-(5-bromo-2-thienyl)-3-ethyl-thiazol-3-ium-2-yl]-(4-phenoxyphenyl)amine Formula: C21H18BrN2OS2+ MolecularWeight: 458.41442

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C2=CC=C(S2)Br)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC[N+]1=C(SC=C1C2=CC=C(S2)Br)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H17BrN2OS2/c1-2-24-18(19-12-13-20(22)27-19)14-26-21(24)23-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-14H,2H2,1H3/p+1