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

Systemtic Name: 1-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]urea CAS Name: 1-[1-[5-[(4-fluorophenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]urea Traditional Name: 1-benzyl-3-[1-[5-[(4-fluorobenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]urea Formula: C31H27FN6O3S MolecularWeight: 582.647883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F)NC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F)NC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H27FN6O3S/c32-25-13-11-24(12-14-25)21-42-31-36-35-29(37(31)26-15-17-27(18-16-26)38(40)41)28(19-22-7-3-1-4-8-22)34-30(39)33-20-23-9-5-2-6-10-23/h1-18,28H,19-21H2,(H2,33,34,39)