2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C25H21N5O3S MolecularWeight: 471.53094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC4=C(C=C3)OCO4)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC4=C(C=C3)OCO4)N)C#N

InChI

InChI=1S/C25H21N5O3S/c1-14(2)15-3-5-16(6-4-15)23-18(10-26)24(28)30-25(19(23)11-27)34-12-22(31)29-17-7-8-20-21(9-17)33-13-32-20/h3-9,14H,12-13H2,1-2H3,(H2,28,30)(H,29,31)