2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C17H15ClN5OS+ MolecularWeight: 372.8519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

InChI

InChI=1S/C17H14ClN5OS/c1-9-3-10(2)15(13(18)4-9)22-14(24)8-25-17-12(7-20)5-11(6-19)16(21)23-17/h3-5H,8H2,1-2H3,(H2,21,23)(H,22,24)/p+1