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

Systemtic Name: 3-(4-ethoxyphenyl)-1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-methyl-thiourea Openeye Name: 3-(4-ethoxyphenyl)-1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-methyl-thiourea CAS Name: 3-(4-ethoxyphenyl)-1-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-methylthiourea IUPAC Name: 3-(4-ethoxyphenyl)-1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methylthiourea Traditional Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-methyl-3-p-phenetyl-thiourea Formula: C26H25FN4OS MolecularWeight: 460.566303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(C)CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(C)CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C26H25FN4OS/c1-3-32-24-15-13-22(14-16-24)28-26(33)30(2)17-20-18-31(23-7-5-4-6-8-23)29-25(20)19-9-11-21(27)12-10-19/h4-16,18H,3,17H2,1-2H3,(H,28,33)