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

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)thiourea Formula: C20H21FN4S MolecularWeight: 368.470943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4S/c1-14-19(12-22-20(26)23-18-10-8-17(21)9-11-18)15(2)25(24-14)13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H2,22,23,26)