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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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