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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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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)OCCO4)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)OCCO4)N)C#N

InChI

InChI=1S/C27H25N5O3S/c1-16(2)17-3-5-18(6-4-17)25-20(14-28)26(30)32-27(21(25)15-29)36-12-9-24(33)31-19-7-8-22-23(13-19)35-11-10-34-22/h3-8,13,16H,9-12H2,1-2H3,(H2,30,32)(H,31,33)