3-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazole Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazole IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 4-(4-fluorophenyl)-3-(methylthio)-5-veratryl-1,2,4-triazole Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SC)OC

InChI

InChI=1S/C18H18FN3O2S/c1-23-15-9-4-12(10-16(15)24-2)11-17-20-21-18(25-3)22(17)14-7-5-13(19)6-8-14/h4-10H,11H2,1-3H3