1-[[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea Openeye Name: 1-[[4-(2,5-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea CAS Name: 1-[[4-(2,5-dichlorophenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[[4-(2,5-dichlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea Traditional Name: 1-[[4-(2,5-dichlorophenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea Formula: C25H20Cl2F3N5O2S MolecularWeight: 582.42481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)CNC(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)CNC(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H20Cl2F3N5O2S/c1-37-19-4-2-3-15(11-19)14-38-24-34-33-22(35(24)21-12-17(26)7-10-20(21)27)13-31-23(36)32-18-8-5-16(6-9-18)25(28,29)30/h2-12H,13-14H2,1H3,(H2,31,32,36)