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

Systemtic Name: N-[[5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-aniline Openeye Name: N-[[5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-aniline CAS Name: N-[[5-(cyclohexylmethylthio)-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline IUPAC Name: N-[[5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline Traditional Name: [5-(cyclohexylmethylthio)-4-ethyl-1,2,4-triazol-3-yl]methyl-(4-fluorophenyl)amine Formula: C18H25FN4S MolecularWeight: 348.481303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2CCCCC2)CNC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=NN=C1SCC2CCCCC2)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C18H25FN4S/c1-2-23-17(12-20-16-10-8-15(19)9-11-16)21-22-18(23)24-13-14-6-4-3-5-7-14/h8-11,14,20H,2-7,12-13H2,1H3