2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N,N-bis(phenylmethyl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N,N-bis(phenylmethyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N,N-dibenzyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N,N-bis(phenylmethyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N,N-dibenzylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N,N-dibenzyl-acetamide Formula: C23H20N5OS+ MolecularWeight: 414.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C23H19N5OS/c24-12-19-11-20(13-25)23(27-22(19)26)30-16-21(29)28(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-11H,14-16H2,(H2,26,27)/p+1