3-(furan-2-ylmethyl)-5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 3-(furan-2-ylmethyl)-5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-(2-furylmethyl)-5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]thiazol-3-ium-2-amine bromide CAS Name: 3-(2-furanylmethyl)-5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-2-thiazol-3-iumamine bromide IUPAC Name: 3-(furan-2-ylmethyl)-5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-(2-furfuryl)-5-methyl-4-phenyl-thiazol-3-ium-2-yl]-[(E)-1-phenylethylideneamino]amine bromide Formula: C23H22BrN3OS MolecularWeight: 468.40928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(S1)NN=C(C)C2=CC=CC=C2)CC3=CC=CO3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=C([N+](=C(S1)N/N=C(\C)/C2=CC=CC=C2)CC3=CC=CO3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H21N3OS.BrH/c1-17(19-10-5-3-6-11-19)24-25-23-26(16-21-14-9-15-27-21)22(18(2)28-23)20-12-7-4-8-13-20;/h3-15H,16H2,1-2H3;1H/b24-17+;