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

Systemtic Name: 1-(4-ethylphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]urea Openeye Name: 1-(4-ethylphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]urea CAS Name: 1-(4-ethylphenyl)-3-[1-[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]urea IUPAC Name: 1-(4-ethylphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]urea Traditional Name: 1-(4-ethylphenyl)-3-[1-[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]urea Formula: C33H32FN5OS MolecularWeight: 565.703483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C4=CC=C(C=C4)C)SCC5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C4=CC=C(C=C4)C)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C33H32FN5OS/c1-3-24-13-17-28(18-14-24)35-32(40)36-30(21-25-7-5-4-6-8-25)31-37-38-33(39(31)29-19-9-23(2)10-20-29)41-22-26-11-15-27(34)16-12-26/h4-20,30H,3,21-22H2,1-2H3,(H2,35,36,40)