2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-isopropylphenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-p-cumenyl-acetamide Formula: C18H18N5OS+ MolecularWeight: 352.43342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5OS/c1-11(2)12-3-5-15(6-4-12)22-16(24)10-25-18-14(9-20)7-13(8-19)17(21)23-18/h3-7,11H,10H2,1-2H3,(H2,21,23)(H,22,24)/p+1