1-[2-(3-cyano-4-oxidanyl-phenyl)-5-(2-methyl-1-methylsulfanyl-propan-2-yl)pyrazol-3-yl]-3-[[2-[[3-[4-(2-hydroxyethyloxy)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-methyl-1-methylsulfanyl-propan-2-yl)pyrazol-3-yl]-3-[[2-[[3-[4-(2-hydroxyethyloxy)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-dimethyl-2-methylsulfanyl-ethyl)pyrazol-3-yl]-3-[[2-[[3-[4-(2-hydroxyethoxy)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-methyl-1-(methylthio)propan-2-yl]-3-pyrazolyl]-3-[[2-[[3-[4-(2-hydroxyethoxy)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-methyl-1-methylsulfanylpropan-2-yl)pyrazol-3-yl]-3-[[2-[[3-[4-(2-hydroxyethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methyl]urea Traditional Name: 1-[2-(3-cyano-4-hydroxy-phenyl)-5-[1,1-dimethyl-2-(methylthio)ethyl]pyrazol-3-yl]-3-[2-[[3-[4-(2-hydroxyethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]thio]benzyl]urea Formula: C37H36N8O4S2 MolecularWeight: 720.86294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC)C1=NN(C(=C1)NC(=O)NCC2=CC=CC=C2SC3=CN4C(=NN=C4C5=CC=C(C=C5)OCCO)C=C3)C6=CC(=C(C=C6)O)C#N

Isomeric SMILES

CC(C)(CSC)C1=NN(C(=C1)NC(=O)NCC2=CC=CC=C2SC3=CN4C(=NN=C4C5=CC=C(C=C5)OCCO)C=C3)C6=CC(=C(C=C6)O)C#N

InChI

InChI=1S/C37H36N8O4S2/c1-37(2,23-50-3)32-19-34(45(43-32)27-10-14-30(47)26(18-27)20-38)40-36(48)39-21-25-6-4-5-7-31(25)51-29-13-15-33-41-42-35(44(33)22-29)24-8-11-28(12-9-24)49-17-16-46/h4-15,18-19,22,46-47H,16-17,21,23H2,1-3H3,(H2,39,40,48)