(E)-1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(allylamino)-1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(2-bromophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-(prop-2-enylamino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(allylamino)-1-(2-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C18H17BrN2OS MolecularWeight: 389.30938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=CC=C2Br)[O-])C(=S)NCC=C

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC=CC=C2Br)/[O-])/C(=S)NCC=C

InChI

InChI=1S/C18H17BrN2OS/c1-3-10-20-18(23)16(21-11-6-7-13(2)12-21)17(22)14-8-4-5-9-15(14)19/h3-9,11-12H,1,10H2,2H3,(H-,20,22,23)