3-(4-ethoxyphenyl)-4-(2-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-ethoxyphenyl)-4-(2-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-ethoxyphenyl)-4-(2-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-ethoxyphenyl)-4-(2-fluorophenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-ethoxyphenyl)-4-(2-fluorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2-fluorophenyl)-3-[(4-nitrobenzyl)thio]-5-p-phenetyl-1,2,4-triazole Formula: C23H19FN4O3S MolecularWeight: 450.485363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3F)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3F)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19FN4O3S/c1-2-31-19-13-9-17(10-14-19)22-25-26-23(27(22)21-6-4-3-5-20(21)24)32-15-16-7-11-18(12-8-16)28(29)30/h3-14H,2,15H2,1H3