1-(3-chloranyl-4-fluoranyl-phenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C18H16ClFN4OS MolecularWeight: 390.862243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H16ClFN4OS/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-12-8-9-15(20)14(19)10-12/h3-10H,1-2H3,(H2,21,22,26)