2-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C28H25N7O5S MolecularWeight: 571.607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=O)N(N1)C2=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(=O)N(N1)C2=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/C28H25N7O5S/c1-15(27(37)32-22-12-23(36)35(34-22)17-8-6-5-7-9-17)41-28-19(14-30)24(18(13-29)26(31)33-28)16-10-20(38-2)25(40-4)21(11-16)39-3/h5-12,15,34H,1-4H3,(H2,31,33)(H,32,37)