1-(4-bromophenyl)-3-[(2,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(4-bromophenyl)-3-[(2,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(4-bromophenyl)-3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(4-bromophenyl)-3-(2,5-dimethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(4-bromophenyl)-3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-bromophenyl)-3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H19BrN2OS MolecularWeight: 439.36806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2OS/c1-15-6-7-16(2)19(14-15)24-22(27)20(25-12-4-3-5-13-25)21(26)17-8-10-18(23)11-9-17/h3-14H,1-2H3,(H-,24,26,27)