(Z)-3-(4-octoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-prop-2-enenitrile

Systemtic Name: (Z)-3-(4-octoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-prop-2-enenitrile Openeye Name: (Z)-3-(4-octoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-prop-2-enenitrile CAS Name: (Z)-3-(4-octoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-propenenitrile IUPAC Name: (Z)-3-(4-octoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylprop-2-enenitrile Traditional Name: (Z)-3-(4-octoxyphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acrylonitrile Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(/C#N)\SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C22H26N2O2S/c1-2-3-4-5-6-9-16-26-20-13-11-19(12-14-20)17-21(18-23)27-22-10-7-8-15-24(22)25/h7-8,10-15,17H,2-6,9,16H2,1H3/b21-17-