1-[2-(4-chloranyl-3-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-(4-chloranyl-3-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-(4-chloro-3-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-(4-chloro-3-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-(4-chloro-3-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-(4-chloro-3-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: C36H36ClN7O3S2 MolecularWeight: 714.29914

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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)Cl)O

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)Cl)O

InChI

InChI=1S/C36H36ClN7O3S2/c1-4-36(2,3)31-20-33(44(42-31)24-13-15-27(37)28(46)19-24)39-35(47)38-21-23-9-5-7-11-29(23)49-25-14-16-32-40-41-34(43(32)22-25)26-10-6-8-12-30(26)48-18-17-45/h5-16,19-20,22,45-46H,4,17-18,21H2,1-3H3,(H2,38,39,47)