1-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-(3,4-dimethylphenyl)urea

Systemtic Name: 1-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-(3,4-dimethylphenyl)urea Openeye Name: 1-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-(3,4-dimethylphenyl)urea CAS Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-3-(3,4-dimethylphenyl)urea IUPAC Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-(3,4-dimethylphenyl)urea Traditional Name: 1-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-3-(3,4-dimethylphenyl)urea Formula: C27H27ClFN5OS MolecularWeight: 524.052583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=C(C=C4)F)C

InChI

InChI=1S/C27H27ClFN5OS/c1-16-6-12-23(13-18(16)3)31-26(35)30-19(4)25-32-33-27(36-15-20-7-10-22(29)11-8-20)34(25)24-14-21(28)9-5-17(24)2/h5-14,19H,15H2,1-4H3,(H2,30,31,35)