5-(cyclopentylmethyl)-3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(cyclopentylmethyl)-3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(cyclopentylmethyl)-3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(cyclopentylmethyl)-3-[2-(3,5-dimethylphenoxy)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(cyclopentylmethyl)-3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(cyclopentylmethyl)-3-[2-(3,5-dimethylphenoxy)ethylthio]-1H-1,2,4-triazole Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NNC(=N2)CC3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NNC(=N2)CC3CCCC3)C

InChI

InChI=1S/C18H25N3OS/c1-13-9-14(2)11-16(10-13)22-7-8-23-18-19-17(20-21-18)12-15-5-3-4-6-15/h9-11,15H,3-8,12H2,1-2H3,(H,19,20,21)