3-[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-ethyl-indole

Systemtic Name: 3-[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-ethyl-indole Openeye Name: 3-[5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-ethyl-indole CAS Name: 3-[5-[(2-chloro-6-fluorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-ethylindole IUPAC Name: 3-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-ethylindole Traditional Name: 3-[5-[(2-chloro-6-fluoro-benzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-1-ethyl-indole Formula: C21H20ClFN4S MolecularWeight: 414.926703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H20ClFN4S/c1-3-26-12-15(14-8-5-6-11-19(14)26)20-24-25-21(27(20)4-2)28-13-16-17(22)9-7-10-18(16)23/h5-12H,3-4,13H2,1-2H3