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

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-N-(2-methylphenyl)propanamide Openeye Name: 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-N-(o-tolyl)propanamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)thio]-N-(2-methylphenyl)propanamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)sulfanyl-N-(2-methylphenyl)propanamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)thio]-N-(o-tolyl)propionamide Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=C(C(=CC(=[NH+]2)C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=C(C(=CC(=[NH+]2)C)C)C#N

InChI

InChI=1S/C18H19N3OS/c1-11-7-5-6-8-16(11)21-17(22)14(4)23-18-15(10-19)12(2)9-13(3)20-18/h5-9,14H,1-4H3,(H,21,22)/p+1