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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H23N5O3S/c1-15(2)16-3-5-17(6-4-16)24-19(12-27)25(29)31-26(20(24)13-28)35-10-9-23(32)30-18-7-8-21-22(11-18)34-14-33-21/h3-8,11,15H,9-10,14H2,1-2H3,(H2,29,31)(H,30,32)