2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-methyl-N-(o-tolylmethyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-methyl-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-methyl-N-(2-methylbenzyl)acetamide Formula: C18H18N5OS+ MolecularWeight: 352.43342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

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