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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4)N)C#N

InChI

InChI=1S/C25H21N5O3S/c1-3-15-4-6-16(7-5-15)22-18(11-26)23(28)30-25(19(22)12-27)34-14(2)24(31)29-17-8-9-20-21(10-17)33-13-32-20/h4-10,14H,3,13H2,1-2H3,(H2,28,30)(H,29,31)