3-(2-cyclohexylethyl)-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(2-cyclohexylethyl)-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-cyclohexylethyl)-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-cyclohexylethyl)-5-[(3-fluoro-4-methoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-cyclohexylethyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-cyclohexylethyl)-5-[(3-fluoro-4-methoxy-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C18H25FN4OS MolecularWeight: 364.480703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)CCC3CCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)CCC3CCCCC3)F

InChI

InChI=1S/C18H25FN4OS/c1-24-16-9-7-14(11-15(16)19)12-25-18-22-21-17(23(18)20)10-8-13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10,12,20H2,1H3