1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(2-fluorophenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(2-fluorophenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-(2-fluorophenyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(2-fluorophenyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(2-fluorophenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C21H20FN5OS MolecularWeight: 409.479803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C21H20FN5OS/c1-15-19(20(28)27(25(15)2)16-9-4-3-5-10-16)24-21(29)26(14-8-13-23)18-12-7-6-11-17(18)22/h3-7,9-12H,8,14H2,1-2H3,(H,24,29)