1-(4-ethanoylphenyl)-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: 1-(4-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiourea Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H21FN4OS/c1-13-20(14(2)26(25-13)12-16-4-8-18(22)9-5-16)24-21(28)23-19-10-6-17(7-11-19)15(3)27/h4-11H,12H2,1-3H3,(H2,23,24,28)