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

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[2-(3,5-dimethylphenoxy)ethylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[2-(3,5-dimethylphenoxy)ethylthio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C16H17N3OS2 MolecularWeight: 331.45568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NNC(=N2)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NNC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C16H17N3OS2/c1-11-8-12(2)10-13(9-11)20-5-7-22-16-17-15(18-19-16)14-4-3-6-21-14/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,18,19)