4-methyl-N-[(Z)-1-methylsulfanyl-3-oxidanylidene-3-phenyl-2-pyridin-1-ium-1-yl-prop-1-enyl]benzamide iodide

Systemtic Name: 4-methyl-N-[(Z)-1-methylsulfanyl-3-oxidanylidene-3-phenyl-2-pyridin-1-ium-1-yl-prop-1-enyl]benzamide iodide Openeye Name: 4-methyl-N-[(Z)-1-methylsulfanyl-3-oxo-3-phenyl-2-pyridin-1-ium-1-yl-prop-1-enyl]benzamide iodide CAS Name: 4-methyl-N-[(Z)-1-(methylthio)-3-oxo-3-phenyl-2-(1-pyridin-1-iumyl)prop-1-enyl]benzamide iodide IUPAC Name: 4-methyl-N-[(Z)-1-methylsulfanyl-3-oxo-3-phenyl-2-pyridin-1-ium-1-ylprop-1-enyl]benzamide iodide Traditional Name: N-[(Z)-3-keto-1-(methylthio)-3-phenyl-2-pyridin-1-ium-1-yl-prop-1-enyl]-4-methyl-benzamide iodide Formula: C23H21IN2O2S MolecularWeight: 516.39451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=C(C(=O)C2=CC=CC=C2)[N+]3=CC=CC=C3)SC.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C(\C(=O)C2=CC=CC=C2)/[N+]3=CC=CC=C3)/SC.[I-]

InChI

InChI=1S/C23H20N2O2S.HI/c1-17-11-13-19(14-12-17)22(27)24-23(28-2)20(25-15-7-4-8-16-25)21(26)18-9-5-3-6-10-18;/h3-16H,1-2H3;1H