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

Systemtic Name: 5-(cyclopentylmethyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(cyclopentylmethyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(cyclopentylmethyl)-3-[(2,5-dimethoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(cyclopentylmethyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(cyclopentylmethyl)-3-[(2,5-dimethoxybenzyl)thio]-1H-1,2,4-triazole Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C17H23N3O2S/c1-21-14-7-8-15(22-2)13(10-14)11-23-17-18-16(19-20-17)9-12-5-3-4-6-12/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,18,19,20)