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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(4-phenoxyphenyl)butyramide Formula: C31H27N5O2S MolecularWeight: 533.64338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(CC)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(CC)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C31H27N5O2S/c1-3-20-10-12-21(13-11-20)28-25(18-32)29(34)36-31(26(28)19-33)39-27(4-2)30(37)35-22-14-16-24(17-15-22)38-23-8-6-5-7-9-23/h5-17,27H,3-4H2,1-2H3,(H2,34,36)(H,35,37)