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

Systemtic Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C19H17FN4O2S MolecularWeight: 384.427283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F

InChI

InChI=1S/C19H17FN4O2S/c1-12-13(5-4-8-17(12)24(25)26)11-27-19-22-21-18(23(19)14-9-10-14)15-6-2-3-7-16(15)20/h2-8,14H,9-11H2,1H3