(E)-2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-[(3-methylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-[(3-methylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(3-bromo-1-pyridin-1-iumyl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(m-toluidino)-3-thioxo-prop-1-en-1-olate Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)C(=C(C2=CC=C(C=C2)OC)[O-])[N+]3=CC=CC(=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)/C(=C(/C2=CC=C(C=C2)OC)\[O-])/[N+]3=CC=CC(=C3)Br

InChI

InChI=1S/C22H19BrN2O2S/c1-15-5-3-7-18(13-15)24-22(28)20(25-12-4-6-17(23)14-25)21(26)16-8-10-19(27-2)11-9-16/h3-14H,1-2H3,(H-,24,26,28)