1-(4-bromophenyl)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-bromophenyl)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-bromophenyl)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-bromophenyl)-3-(2,6-dimethylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-bromophenyl)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-bromophenyl)-3-(2,6-dimethylanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H20BrN2OS+ MolecularWeight: 440.376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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