1-[2-(3-cyano-4-oxidanyl-phenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methyl]urea

Systemtic Name: 1-[2-(3-cyano-4-oxidanyl-phenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methyl]urea Openeye Name: 1-[2-(3-cyano-4-hydroxy-phenyl)-5-(1,1-dimethylpropyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methyl]urea CAS Name: 1-[2-(3-cyano-4-hydroxyphenyl)-5-(2-methylbutan-2-yl)-3-pyrazolyl]-3-[[2-[[3-[2-(2-hydroxyethylthio)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]thio]phenyl]methyl]urea IUPAC Name: 1-[2-(3-cyano-4-hydroxyphenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methyl]urea Traditional Name: 1-[5-tert-amyl-2-(3-cyano-4-hydroxy-phenyl)pyrazol-3-yl]-3-[2-[[3-[2-(2-hydroxyethylthio)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]thio]benzyl]urea Formula: C37H36N8O3S2 MolecularWeight: 704.86354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=NN(C(=C1)NC(=O)NCC2=CC=CC=C2SC3=CN4C(=NN=C4C5=CC=CC=C5SCCO)C=C3)C6=CC(=C(C=C6)O)C#N

Isomeric SMILES

CCC(C)(C)C1=NN(C(=C1)NC(=O)NCC2=CC=CC=C2SC3=CN4C(=NN=C4C5=CC=CC=C5SCCO)C=C3)C6=CC(=C(C=C6)O)C#N

InChI

InChI=1S/C37H36N8O3S2/c1-4-37(2,3)32-20-34(45(43-32)26-13-15-29(47)25(19-26)21-38)40-36(48)39-22-24-9-5-7-11-30(24)50-27-14-16-33-41-42-35(44(33)23-27)28-10-6-8-12-31(28)49-18-17-46/h5-16,19-20,23,46-47H,4,17-18,22H2,1-3H3,(H2,39,40,48)