1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-furylmethyl)thiourea CAS Name: 1-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-furfuryl)thiourea Formula: C22H19FN4OS MolecularWeight: 406.475863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=S)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=S)NCC4=CC=CO4

InChI

InChI=1S/C22H19FN4OS/c23-18-10-8-16(9-11-18)21-17(15-27(26-21)19-5-2-1-3-6-19)13-24-22(29)25-14-20-7-4-12-28-20/h1-12,15H,13-14H2,(H2,24,25,29)