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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(4-fluorobenzyl)acetamide Formula: C25H22FN5OS MolecularWeight: 459.538483

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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=CC=C(C=C3)F)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NCC3=CC=C(C=C3)F)N)C#N

InChI

InChI=1S/C25H22FN5OS/c1-15(2)17-5-7-18(8-6-17)23-20(11-27)24(29)31-25(21(23)12-28)33-14-22(32)30-13-16-3-9-19(26)10-4-16/h3-10,15H,13-14H2,1-2H3,(H2,29,31)(H,30,32)