(2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3-methylphenyl)propanamide

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(m-tolyl)propionamide Formula: C17H16N5OS+ MolecularWeight: 338.40684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5OS/c1-10-4-3-5-14(6-10)21-16(23)11(2)24-17-13(9-19)7-12(8-18)15(20)22-17/h3-7,11H,1-2H3,(H2,20,22)(H,21,23)/p+1/t11-/m0/s1