1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-(pyridin-4-ylmethylsulfanyl)phenyl]urea

Systemtic Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-(pyridin-4-ylmethylsulfanyl)phenyl]urea Openeye Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-(4-pyridylmethylsulfanyl)phenyl]urea CAS Name: 1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-[4-(pyridin-4-ylmethylthio)phenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-[4-(pyridin-4-ylmethylsulfanyl)phenyl]urea Traditional Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[4-(4-pyridylmethylthio)phenyl]urea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)SCC3=CC=NC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)SCC3=CC=NC=C3)C

InChI

InChI=1S/C21H25N5OS/c1-21(2,3)18-13-19(26(4)25-18)24-20(27)23-16-5-7-17(8-6-16)28-14-15-9-11-22-12-10-15/h5-13H,14H2,1-4H3,(H2,23,24,27)