1-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-[1-[4-(2,4-dichlorophenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-[2-(trifluoromethyl)phenyl]urea Formula: C32H26Cl2F3N5OS MolecularWeight: 656.54795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)C(CC4=CC=CC=C4)NC(=O)NC5=CC=CC=C5C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)C(CC4=CC=CC=C4)NC(=O)NC5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C32H26Cl2F3N5OS/c1-20-8-7-11-22(16-20)19-44-31-41-40-29(42(31)28-15-14-23(33)18-25(28)34)27(17-21-9-3-2-4-10-21)39-30(43)38-26-13-6-5-12-24(26)32(35,36)37/h2-16,18,27H,17,19H2,1H3,(H2,38,39,43)