1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-(3-pyridin-4-ylsulfanylphenyl)urea

Systemtic Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-(3-pyridin-4-ylsulfanylphenyl)urea Openeye Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[3-(4-pyridylsulfanyl)phenyl]urea CAS Name: 1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-[3-(pyridin-4-ylthio)phenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-(3-pyridin-4-ylsulfanylphenyl)urea Traditional Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[3-(4-pyridylthio)phenyl]urea Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC(=CC=C2)SC3=CC=NC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC(=CC=C2)SC3=CC=NC=C3)C

InChI

InChI=1S/C20H23N5OS/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-6-5-7-16(12-14)27-15-8-10-21-11-9-15/h5-13H,1-4H3,(H2,22,23,26)