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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C31H27N5O5S MolecularWeight: 581.64158

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)OC)OC)OC)C#N

Isomeric SMILES

CC(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)OC)OC)OC)C#N

InChI

InChI=1S/C31H27N5O5S/c1-18(30(37)35-20-10-12-22(13-11-20)41-21-8-6-5-7-9-21)42-31-24(17-33)27(23(16-32)29(34)36-31)19-14-25(38-2)28(40-4)26(15-19)39-3/h5-15,18H,1-4H3,(H2,34,36)(H,35,37)