1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]pyrazol-4-yl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)pyrazol-4-yl]-3-homoveratryl-thiourea Formula: C23H23F5N4O2S MolecularWeight: 514.511336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H23F5N4O2S/c1-11-22(30-23(35)29-8-7-13-5-6-15(33-3)16(9-13)34-4)12(2)32(31-11)10-14-17(24)19(26)21(28)20(27)18(14)25/h5-6,9H,7-8,10H2,1-4H3,(H2,29,30,35)