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

Systemtic Name: 3-azanylidene-2-[3-ethyl-4-(phenylsulfonylmethyl)pyridin-1-ium-1-yl]prop-2-enenitrile Openeye Name: 2-[4-(benzenesulfonylmethyl)-3-ethyl-pyridin-1-ium-1-yl]-3-imino-prop-2-enenitrile CAS Name: 2-[4-(benzenesulfonylmethyl)-3-ethyl-1-pyridin-1-iumyl]-3-imino-2-propenenitrile IUPAC Name: 2-[4-(benzenesulfonylmethyl)-3-ethylpyridin-1-ium-1-yl]-3-iminoprop-2-enenitrile Traditional Name: 2-[4-(besylmethyl)-3-ethyl-pyridin-1-ium-1-yl]-3-imino-acrylonitrile Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C[N+](=C1)C(=C=N)C#N)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(C=C[N+](=C1)C(=C=N)C#N)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16N3O2S/c1-2-14-12-20(16(10-18)11-19)9-8-15(14)13-23(21,22)17-6-4-3-5-7-17/h3-9,12,18H,2,13H2,1H3/q+1