1-(3-chloranyl-2-methyl-phenyl)-3-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]thiourea Formula: C18H15ClFN5OS MolecularWeight: 403.861003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15ClFN5OS/c1-10-13(19)3-2-4-14(10)21-18(27)25-24-17(26)16-9-15(22-23-16)11-5-7-12(20)8-6-11/h2-9H,1H3,(H,22,23)(H,24,26)(H2,21,25,27)