4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazole Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F

InChI

InChI=1S/C19H17FN4O3S/c1-27-17-9-8-14(24(25)26)10-12(17)11-28-19-22-21-18(23(19)13-6-7-13)15-4-2-3-5-16(15)20/h2-5,8-10,13H,6-7,11H2,1H3