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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C17H14N5O3S+ MolecularWeight: 368.38976

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C17H13N5O3S/c18-7-10-5-11(8-19)17(22-16(10)20)26-9-15(23)21-12-1-2-13-14(6-12)25-4-3-24-13/h1-2,5-6H,3-4,9H2,(H2,20,22)(H,21,23)/p+1