3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-methylthiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylthiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-thiourea Formula: C20H20ClFN4S MolecularWeight: 402.916003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H20ClFN4S/c1-13-17(14(2)26(24-13)16-7-5-4-6-8-16)12-25(3)20(27)23-15-9-10-19(22)18(21)11-15/h4-11H,12H2,1-3H3,(H,23,27)