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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H16N5O3S2+ MolecularWeight: 450.51344

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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)C4=CC=CS4)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=CS4)C#N

InChI

InChI=1S/C21H15N5O3S2/c22-9-13-19(17-2-1-7-30-17)14(10-23)21(26-20(13)24)31-11-18(27)25-12-3-4-15-16(8-12)29-6-5-28-15/h1-4,7-8H,5-6,11H2,(H2,24,26)(H,25,27)/p+1