2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(4-phenoxyphenyl)butyramide Formula: C32H29N5O2S MolecularWeight: 547.66996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C(C)C)C#N

InChI

InChI=1S/C32H29N5O2S/c1-4-28(31(38)36-23-14-16-25(17-15-23)39-24-8-6-5-7-9-24)40-32-27(19-34)29(26(18-33)30(35)37-32)22-12-10-21(11-13-22)20(2)3/h5-17,20,28H,4H2,1-3H3,(H2,35,37)(H,36,38)