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

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(3-ethanoylphenyl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]thiourea Formula: C19H16ClFN4OS MolecularWeight: 402.872943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H16ClFN4OS/c1-12(26)13-4-2-5-14(10-13)22-19(27)23-18-8-9-25(24-18)11-15-16(20)6-3-7-17(15)21/h2-10H,11H2,1H3,(H2,22,23,24,27)