1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-methylallyl)thiourea CAS Name: 1-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-methylallyl)thiourea Formula: C21H21FN4S MolecularWeight: 380.481643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(=C)CNC(=S)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H21FN4S/c1-15(2)12-23-21(27)24-13-17-14-26(19-6-4-3-5-7-19)25-20(17)16-8-10-18(22)11-9-16/h3-11,14H,1,12-13H2,2H3,(H2,23,24,27)