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

Systemtic Name: 1-[4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[3-allyl-4-(3-nitrophenyl)thiazol-3-ium-2-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[4-(3-nitrophenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[3-allyl-4-(3-nitrophenyl)thiazol-3-ium-2-yl]amino]phenyl]ethanone Formula: C20H18N3O3S+ MolecularWeight: 380.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C20H17N3O3S/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/p+1