1-[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[3-(4-bromo-1-methyl-3-pyrazolyl)phenyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-[4-(methylthio)phenyl]urea Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)SC)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)SC)Br

InChI

InChI=1S/C18H17BrN4OS/c1-23-11-16(19)17(22-23)12-4-3-5-14(10-12)21-18(24)20-13-6-8-15(25-2)9-7-13/h3-11H,1-2H3,(H2,20,21,24)