1-butyl-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea

Systemtic Name: 1-butyl-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea Openeye Name: 1-butyl-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea CAS Name: 1-butyl-3-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-butyl-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]thiourea Traditional Name: 1-butyl-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea Formula: C21H23FN4S MolecularWeight: 382.497523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4S/c1-2-3-13-23-21(27)24-14-17-15-26(19-7-5-4-6-8-19)25-20(17)16-9-11-18(22)12-10-16/h4-12,15H,2-3,13-14H2,1H3,(H2,23,24,27)