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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-piperonyl-acetamide 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)SCC(=O)NCC3=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)NCC3=CC4=C(C=C3)OCO4)N)C#N

InChI

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