3-azanylidene-2-[3-ethoxy-4-[(4-methylphenyl)sulfonylmethyl]pyridazin-1-ium-1-yl]prop-2-enenitrile

Systemtic Name: 3-azanylidene-2-[3-ethoxy-4-[(4-methylphenyl)sulfonylmethyl]pyridazin-1-ium-1-yl]prop-2-enenitrile Openeye Name: 2-[3-ethoxy-4-(p-tolylsulfonylmethyl)pyridazin-1-ium-1-yl]-3-imino-prop-2-enenitrile CAS Name: 2-[3-ethoxy-4-[(4-methylphenyl)sulfonylmethyl]-1-pyridazin-1-iumyl]-3-imino-2-propenenitrile IUPAC Name: 2-[3-ethoxy-4-[(4-methylphenyl)sulfonylmethyl]pyridazin-1-ium-1-yl]-3-iminoprop-2-enenitrile Traditional Name: 2-[3-ethoxy-4-(tosylmethyl)pyridazin-1-ium-1-yl]-3-imino-acrylonitrile Formula: C17H17N4O3S+ MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C[N+](=N1)C(=C=N)C#N)CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C=C[N+](=N1)C(=C=N)C#N)CS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H17N4O3S/c1-3-24-17-14(8-9-21(20-17)15(10-18)11-19)12-25(22,23)16-6-4-13(2)5-7-16/h4-9,18H,3,12H2,1-2H3/q+1