1-[5-tert-butyl-2-(4-chloranyl-3-oxidanyl-phenyl)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-[5-tert-butyl-2-(4-chloranyl-3-oxidanyl-phenyl)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-[5-tert-butyl-2-(4-chloro-3-hydroxy-phenyl)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-[5-tert-butyl-2-(4-chloro-3-hydroxyphenyl)-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-[5-tert-butyl-2-(4-chloro-3-hydroxyphenyl)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-butyl-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: C35H34ClN7O3S2 MolecularWeight: 700.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-26(36)27(45)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)