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

Systemtic Name: N-[[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-aniline Openeye Name: N-[[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-aniline CAS Name: N-[[5-(cyclohexylmethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline IUPAC Name: N-[[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline Traditional Name: [5-(cyclohexylmethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl-(4-fluorophenyl)amine Formula: C17H23FN4S MolecularWeight: 334.454723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCCCC2)CNC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCC2CCCCC2)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C17H23FN4S/c1-22-16(11-19-15-9-7-14(18)8-10-15)20-21-17(22)23-12-13-5-3-2-4-6-13/h7-10,13,19H,2-6,11-12H2,1H3