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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-benzyl-N-(2-furylmethyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-furanylmethyl)-N-(phenylmethyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-benzyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-benzyl-N-(2-furfuryl)acetamide Formula: C21H18N5O2S+ MolecularWeight: 404.46492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C21H17N5O2S/c22-10-16-9-17(11-23)21(25-20(16)24)29-14-19(27)26(13-18-7-4-8-28-18)12-15-5-2-1-3-6-15/h1-9H,12-14H2,(H2,24,25)/p+1