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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-piperonyl-acetamide Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

InChI

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