N-[[5-ethylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-aniline

Systemtic Name: N-[[5-ethylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-aniline Openeye Name: N-[[5-ethylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-fluoro-aniline CAS Name: N-[[5-(ethylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline IUPAC Name: N-[[5-ethylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline Traditional Name: [5-(ethylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl-(4-fluorophenyl)amine Formula: C18H19FN4OS MolecularWeight: 358.433063

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=C(C=C2)OC)CNC3=CC=C(C=C3)F

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=C(C=C2)OC)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN4OS/c1-3-25-18-22-21-17(12-20-14-6-4-13(19)5-7-14)23(18)15-8-10-16(24-2)11-9-15/h4-11,20H,3,12H2,1-2H3