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

Systemtic Name: 1-(4-ethylphenyl)-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-(4-ethylphenyl)-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea CAS Name: 1-(4-ethylphenyl)-3-[[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(4-ethylphenyl)-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-(4-ethylphenyl)-3-[[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea Formula: C26H26FN5OS MolecularWeight: 475.580943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN5OS/c1-3-19-8-12-22(13-9-19)29-25(33)28-16-24-30-31-26(32(24)23-14-4-18(2)5-15-23)34-17-20-6-10-21(27)11-7-20/h4-15H,3,16-17H2,1-2H3,(H2,28,29,33)