3-azanylidene-2-[3-ethoxy-4-(phenylsulfonylmethyl)pyridin-1-ium-1-yl]prop-2-enenitrile

Systemtic Name: 3-azanylidene-2-[3-ethoxy-4-(phenylsulfonylmethyl)pyridin-1-ium-1-yl]prop-2-enenitrile Openeye Name: 2-[4-(benzenesulfonylmethyl)-3-ethoxy-pyridin-1-ium-1-yl]-3-imino-prop-2-enenitrile CAS Name: 2-[4-(benzenesulfonylmethyl)-3-ethoxy-1-pyridin-1-iumyl]-3-imino-2-propenenitrile IUPAC Name: 2-[4-(benzenesulfonylmethyl)-3-ethoxypyridin-1-ium-1-yl]-3-iminoprop-2-enenitrile Traditional Name: 2-[4-(besylmethyl)-3-ethoxy-pyridin-1-ium-1-yl]-3-imino-acrylonitrile Formula: C17H16N3O3S+ MolecularWeight: 342.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C[N+](=C1)C(=C=N)C#N)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C[N+](=C1)C(=C=N)C#N)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16N3O3S/c1-2-23-17-12-20(15(10-18)11-19)9-8-14(17)13-24(21,22)16-6-4-3-5-7-16/h3-9,12,18H,2,13H2,1H3/q+1