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

Systemtic Name: 1-(2-ethoxyphenyl)-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-(2-ethoxyphenyl)-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea CAS Name: 1-(2-ethoxyphenyl)-3-[[5-[(4-fluorophenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(2-ethoxyphenyl)-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-[[5-[(4-fluorobenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-o-phenetyl-urea Formula: C25H23FN6O4S MolecularWeight: 522.551323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN6O4S/c1-2-36-22-6-4-3-5-21(22)28-24(33)27-15-23-29-30-25(37-16-17-7-9-18(26)10-8-17)31(23)19-11-13-20(14-12-19)32(34)35/h3-14H,2,15-16H2,1H3,(H2,27,28,33)