(E)-1-(4-bromophenyl)-3-[(2,6-diethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(4-bromophenyl)-3-[(2,6-diethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-bromophenyl)-3-(2,6-diethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-bromophenyl)-3-(2,6-diethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-bromophenyl)-3-(2,6-diethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-bromophenyl)-3-(2,6-diethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C24H23BrN2OS MolecularWeight: 467.42122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)C(=C(C2=CC=C(C=C2)Br)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)/C(=C(/C2=CC=C(C=C2)Br)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C24H23BrN2OS/c1-3-17-9-8-10-18(4-2)21(17)26-24(29)22(27-15-6-5-7-16-27)23(28)19-11-13-20(25)14-12-19/h5-16H,3-4H2,1-2H3,(H-,26,28,29)