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

Systemtic Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-methoxyethyl)thiourea CAS Name: 1-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-methoxyethyl)thiourea Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4OS/c1-26-12-11-22-20(27)23-13-16-14-25(18-5-3-2-4-6-18)24-19(16)15-7-9-17(21)10-8-15/h2-10,14H,11-13H2,1H3,(H2,22,23,27)