1-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea Openeye Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea CAS Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea Traditional Name: 1-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea Formula: C26H23ClF3N5OS MolecularWeight: 546.00693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H23ClF3N5OS/c1-16-8-11-20(27)14-22(16)35-23(33-34-25(35)37-15-18-6-4-3-5-7-18)17(2)31-24(36)32-21-12-9-19(10-13-21)26(28,29)30/h3-14,17H,15H2,1-2H3,(H2,31,32,36)