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

Systemtic Name: 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[2-(3,5-dimethylphenoxy)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[2-(3,5-dimethylphenoxy)ethylthio]-1H-1,2,4-triazole Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC=NN2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC=NN2)C

InChI

InChI=1S/C12H15N3OS/c1-9-5-10(2)7-11(6-9)16-3-4-17-12-13-8-14-15-12/h5-8H,3-4H2,1-2H3,(H,13,14,15)