4-(2-fluorophenyl)-3-prop-2-enylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 4-(2-fluorophenyl)-3-prop-2-enylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 4-(2-fluorophenyl)-3-(prop-2-enylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 4-(2-fluorophenyl)-3-prop-2-enylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 3-(allylthio)-4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3F)SCC=C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3F)SCC=C

InChI

InChI=1S/C20H20FN3O3S/c1-5-10-28-20-23-22-19(24(20)15-9-7-6-8-14(15)21)13-11-16(25-2)18(27-4)17(12-13)26-3/h5-9,11-12H,1,10H2,2-4H3