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

Systemtic Name: 1,5-dimethyl-4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenyl-pyrazol-3-one bromide Openeye Name: 4-[[3-allyl-4-(3-nitrophenyl)thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide CAS Name: 1,5-dimethyl-4-[[4-(3-nitrophenyl)-3-prop-2-enyl-2-thiazolylidene]amino]-2-phenyl-3-pyrazolone bromide IUPAC Name: 1,5-dimethyl-4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylpyrazol-3-one bromide Traditional Name: 4-[[3-allyl-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one bromide Formula: C23H21BrN5O3S- MolecularWeight: 527.41354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])CC=C.[Br-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])CC=C.[Br-]

InChI

InChI=1S/C23H21N5O3S.BrH/c1-4-13-26-20(17-9-8-12-19(14-17)28(30)31)15-32-23(26)24-21-16(2)25(3)27(22(21)29)18-10-6-5-7-11-18;/h4-12,14-15H,1,13H2,2-3H3;1H/p-1