1-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[4-bromo-1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]thiourea Formula: C19H15BrClFN4OS MolecularWeight: 481.769003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H15BrClFN4OS/c1-11(27)12-5-7-13(8-6-12)23-19(28)24-18-15(20)10-26(25-18)9-14-16(21)3-2-4-17(14)22/h2-8,10H,9H2,1H3,(H2,23,24,25,28)