N-(4-bromophenyl)-2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-bromophenyl)-2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(4-bromophenyl)-2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(4-bromophenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-2-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(4-bromophenyl)-2-[(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)thio]propionamide Formula: C17H17BrN3OS+ MolecularWeight: 391.30538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SC(C)C(=O)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SC(C)C(=O)NC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C17H16BrN3OS/c1-10-8-11(2)20-17(15(10)9-19)23-12(3)16(22)21-14-6-4-13(18)5-7-14/h4-8,12H,1-3H3,(H,21,22)/p+1