2-[6-azanyl-3,5-dicyano-4-(4-phenylmethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-phenylmethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-bromophenyl)ethanamide Openeye Name: 2-[[6-amino-4-(4-benzyloxyphenyl)-3,5-dicyano-2-pyridyl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-phenylmethoxyphenyl)-2-pyridinyl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-phenylmethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-bromophenyl)acetamide Traditional Name: 2-[[6-amino-4-(4-benzoxyphenyl)-3,5-dicyano-2-pyridyl]thio]-N-(4-bromophenyl)acetamide Formula: C28H20BrN5O2S MolecularWeight: 570.4597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=NC(=C3C#N)SCC(=O)NC4=CC=C(C=C4)Br)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=NC(=C3C#N)SCC(=O)NC4=CC=C(C=C4)Br)N)C#N

InChI

InChI=1S/C28H20BrN5O2S/c29-20-8-10-21(11-9-20)33-25(35)17-37-28-24(15-31)26(23(14-30)27(32)34-28)19-6-12-22(13-7-19)36-16-18-4-2-1-3-5-18/h1-13H,16-17H2,(H2,32,34)(H,33,35)