N-[[4-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline

Systemtic Name: N-[[4-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[(2-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-[(2-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C23H27FN4OS MolecularWeight: 426.550083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CC=CC=C4F

InChI

InChI=1S/C23H27FN4OS/c1-29-20-12-7-9-18(14-20)25-15-22-26-27-23(28(22)19-10-3-2-4-11-19)30-16-17-8-5-6-13-21(17)24/h5-9,12-14,19,25H,2-4,10-11,15-16H2,1H3