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

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]pyrazol-3-one bromide Openeye Name: 4-[(3-allyl-4-phenyl-thiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide CAS Name: 1,5-dimethyl-2-phenyl-4-[(4-phenyl-3-prop-2-enyl-2-thiazol-3-iumyl)amino]-3-pyrazolone bromide IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]pyrazol-3-one bromide Traditional Name: 4-[(3-allyl-4-phenyl-thiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one bromide Formula: C23H23BrN4OS MolecularWeight: 483.42392

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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)CC=C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4OS.BrH/c1-4-15-26-20(18-11-7-5-8-12-18)16-29-23(26)24-21-17(2)25(3)27(22(21)28)19-13-9-6-10-14-19;/h4-14,16H,1,15H2,2-3H3;1H