1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea

Systemtic Name: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea Openeye Name: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea CAS Name: 1-[[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea Traditional Name: 1-[[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea Formula: C25H24FN5OS MolecularWeight: 461.554363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN5OS/c1-17-3-11-21(12-4-17)28-24(32)27-15-23-29-30-25(31(23)22-13-5-18(2)6-14-22)33-16-19-7-9-20(26)10-8-19/h3-14H,15-16H2,1-2H3,(H2,27,28,32)