(E)-2-(1-oxidanylpyridin-1-ium-2-yl)sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1-oxidanylpyridin-1-ium-2-yl)sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(1-hydroxypyridin-1-ium-2-yl)sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[(1-hydroxy-2-pyridin-1-iumyl)thio]-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1-hydroxypyridin-1-ium-2-yl)sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[(1-hydroxypyridin-1-ium-2-yl)thio]-3-(3,4,5-trimethoxyphenyl)acrylonitrile Formula: C17H17N2O4S+ MolecularWeight: 345.39288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)SC2=CC=CC=[N+]2O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/SC2=CC=CC=[N+]2O

InChI

InChI=1S/C17H17N2O4S/c1-21-14-9-12(10-15(22-2)17(14)23-3)8-13(11-18)24-16-6-4-5-7-19(16)20/h4-10,20H,1-3H3/q+1/b13-8+