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

Systemtic Name: 3-azanylidene-2-[3-methyl-4-(phenylsulfonylmethyl)pyridin-1-ium-1-yl]prop-2-enenitrile Openeye Name: 2-[4-(benzenesulfonylmethyl)-3-methyl-pyridin-1-ium-1-yl]-3-imino-prop-2-enenitrile CAS Name: 2-[4-(benzenesulfonylmethyl)-3-methyl-1-pyridin-1-iumyl]-3-imino-2-propenenitrile IUPAC Name: 2-[4-(benzenesulfonylmethyl)-3-methylpyridin-1-ium-1-yl]-3-iminoprop-2-enenitrile Traditional Name: 2-[4-(besylmethyl)-3-methyl-pyridin-1-ium-1-yl]-3-imino-acrylonitrile Formula: C16H14N3O2S+ MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1)C(=C=N)C#N)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C[N+](=C1)C(=C=N)C#N)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N3O2S/c1-13-11-19(15(9-17)10-18)8-7-14(13)12-22(20,21)16-5-3-2-4-6-16/h2-8,11,17H,12H2,1H3/q+1