1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C19H17F3N4OS MolecularWeight: 406.42469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N4OS/c1-12-16(17(27)26(25(12)2)15-9-4-3-5-10-15)24-18(28)23-14-8-6-7-13(11-14)19(20,21)22/h3-11H,1-2H3,(H2,23,24,28)