4-[(3,4-diphenyl-1,3-thiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide

Systemtic Name: 4-[(3,4-diphenyl-1,3-thiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide Openeye Name: 4-[(3,4-diphenylthiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide CAS Name: 4-[(3,4-diphenyl-2-thiazol-3-iumyl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone bromide IUPAC Name: 4-[(3,4-diphenyl-1,3-thiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one bromide Traditional Name: 4-[(3,4-diphenylthiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one bromide Formula: C26H23BrN4OS MolecularWeight: 519.45602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[N+](C(=CS3)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[N+](C(=CS3)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H22N4OS.BrH/c1-19-24(25(31)30(28(19)2)22-16-10-5-11-17-22)27-26-29(21-14-8-4-9-15-21)23(18-32-26)20-12-6-3-7-13-20;/h3-18H,1-2H3;1H