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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5OS/c1-12(13-6-4-3-5-7-13)23(2)16(24)11-25-18-15(10-20)8-14(9-19)17(21)22-18/h3-8,12H,11H2,1-2H3,(H2,21,22)/p+1/t12-/m1/s1