1-[4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]phenyl]ethanone bromide

Systemtic Name: 1-[4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]phenyl]ethanone bromide Openeye Name: 1-[4-[[3-allyl-4-(3-nitrophenyl)thiazol-2-ylidene]amino]phenyl]ethanone bromide CAS Name: 1-[4-[[4-(3-nitrophenyl)-3-prop-2-enyl-2-thiazolylidene]amino]phenyl]ethanone bromide IUPAC Name: 1-[4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]phenyl]ethanone bromide Traditional Name: 1-[4-[[3-allyl-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]amino]phenyl]ethanone bromide Formula: C20H17BrN3O3S- MolecularWeight: 459.33628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC=C.[Br-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC=C.[Br-]

InChI

InChI=1S/C20H17N3O3S.BrH/c1-3-11-22-19(16-5-4-6-18(12-16)23(25)26)13-27-20(22)21-17-9-7-15(8-10-17)14(2)24;/h3-10,12-13H,1,11H2,2H3;1H/p-1