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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-(4-phenoxyphenyl)butyramide Formula: C30H25N5O2S MolecularWeight: 519.6168

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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#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#N

InChI

InChI=1S/C30H25N5O2S/c1-3-26(29(36)34-21-13-15-23(16-14-21)37-22-7-5-4-6-8-22)38-30-25(18-32)27(24(17-31)28(33)35-30)20-11-9-19(2)10-12-20/h4-16,26H,3H2,1-2H3,(H2,33,35)(H,34,36)