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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)thio]propionamide Formula: C18H19ClN3OS+ MolecularWeight: 360.88096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=[NH+]2)C)C)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=[NH+]2)C)C)C#N)Cl

InChI

InChI=1S/C18H18ClN3OS/c1-10-5-6-14(8-16(10)19)22-17(23)13(4)24-18-15(9-20)11(2)7-12(3)21-18/h5-8,13H,1-4H3,(H,22,23)/p+1