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

Systemtic Name: (E)-3-(4-nitrophenyl)-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-(4-nitrophenyl)-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-prop-2-enenitrile CAS Name: (E)-3-(4-nitrophenyl)-3-[(1-oxido-2-pyridin-1-iumyl)thio]-2-propenenitrile IUPAC Name: (E)-3-(4-nitrophenyl)-3-(1-oxidopyridin-1-ium-2-yl)sulfanylprop-2-enenitrile Traditional Name: (E)-3-(4-nitrophenyl)-3-[(1-oxidopyridin-1-ium-2-yl)thio]acrylonitrile Formula: C14H9N3O3S MolecularWeight: 299.30456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SC(=CC#N)C2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)S/C(=C/C#N)/C2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H9N3O3S/c15-9-8-13(21-14-3-1-2-10-16(14)18)11-4-6-12(7-5-11)17(19)20/h1-8,10H/b13-8+