(E)-3-(4-methoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-methoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-(4-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-prop-2-enenitrile CAS Name: (E)-3-(4-methoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-propenenitrile IUPAC Name: (E)-3-(4-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylprop-2-enenitrile Traditional Name: (E)-3-(4-methoxyphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acrylonitrile Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H12N2O2S/c1-19-13-7-5-12(6-8-13)10-14(11-16)20-15-4-2-3-9-17(15)18/h2-10H,1H3/b14-10+