6-[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline

Systemtic Name: 6-[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline Openeye Name: 6-[4-allyl-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline CAS Name: 6-[5-[(2-chloro-6-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline IUPAC Name: 6-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline Traditional Name: 6-[4-allyl-5-[(2-chloro-6-fluoro-benzyl)thio]-1,2,4-triazol-3-yl]quinoline Formula: C21H16ClFN4S MolecularWeight: 410.894943

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C21H16ClFN4S/c1-2-11-27-20(15-8-9-19-14(12-15)5-4-10-24-19)25-26-21(27)28-13-16-17(22)6-3-7-18(16)23/h2-10,12H,1,11,13H2