3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-4-fluoro-benzyl)thio]-5-phenethyl-1,2,4-triazole Formula: C20H19ClFN3S MolecularWeight: 387.901363

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C20H19ClFN3S/c1-2-12-25-19(11-8-15-6-4-3-5-7-15)23-24-20(25)26-14-16-9-10-17(22)13-18(16)21/h2-7,9-10,13H,1,8,11-12,14H2