1-ethyl-3-[5-[2-(4-fluoranylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]indole

Systemtic Name: 1-ethyl-3-[5-[2-(4-fluoranylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]indole Openeye Name: 1-ethyl-3-[5-[2-(4-fluorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]indole CAS Name: 1-ethyl-3-[5-[2-(4-fluorophenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]indole IUPAC Name: 1-ethyl-3-[5-[2-(4-fluorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]indole Traditional Name: 1-ethyl-3-[5-[2-(4-fluorophenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]indole Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCCOC4=CC=C(C=C4)F

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4OS/c1-3-26-14-18(17-6-4-5-7-19(17)26)20-23-24-21(25(20)2)28-13-12-27-16-10-8-15(22)9-11-16/h4-11,14H,3,12-13H2,1-2H3