1-(5-bromanylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(5-bromo-2-thienyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(5-bromo-2-thiophenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(5-bromothiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(5-bromo-2-thienyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C19H16BrN2OS2+ MolecularWeight: 432.37714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H15BrN2OS2/c1-13-6-5-11-22(12-13)17(18(23)15-9-10-16(20)25-15)19(24)21-14-7-3-2-4-8-14/h2-12H,1H3,(H-,21,23,24)/p+1