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

Systemtic Name: 4-cyclopropyl-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[(4,5-dimethoxy-2-methylphenyl)methylthio]-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[(4,5-dimethoxy-2-methyl-benzyl)thio]-5-(2-fluorophenyl)-1,2,4-triazole Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F)OC)OC

InChI

InChI=1S/C21H22FN3O2S/c1-13-10-18(26-2)19(27-3)11-14(13)12-28-21-24-23-20(25(21)15-8-9-15)16-6-4-5-7-17(16)22/h4-7,10-11,15H,8-9,12H2,1-3H3