5-(2-cyclopentylethyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-cyclopentylethyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-cyclopentylethyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-cyclopentylethyl)-3-[(2,5-dimethoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-cyclopentylethyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-cyclopentylethyl)-3-[(2,5-dimethoxybenzyl)thio]-1H-1,2,4-triazole Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C18H25N3O2S/c1-22-15-8-9-16(23-2)14(11-15)12-24-18-19-17(20-21-18)10-7-13-5-3-4-6-13/h8-9,11,13H,3-7,10,12H2,1-2H3,(H,19,20,21)