2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)butanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)butanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(1,3-benzodioxol-5-yl)butanamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(1,3-benzodioxol-5-yl)butanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(1,3-benzodioxol-5-yl)butyramide Formula: C24H19N5O3S MolecularWeight: 457.50436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H19N5O3S/c1-2-20(23(30)28-15-8-9-18-19(10-15)32-13-31-18)33-24-17(12-26)21(14-6-4-3-5-7-14)16(11-25)22(27)29-24/h3-10,20H,2,13H2,1H3,(H2,27,29)(H,28,30)