3-[(4-ethoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole

Systemtic Name: 3-[(4-ethoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Openeye Name: 3-[(4-ethoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole CAS Name: 3-[(4-ethoxyphenyl)methylthio]-5-ethyl-1H-1,2,4-triazole IUPAC Name: 3-[(4-ethoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Traditional Name: 3-[(4-ethoxybenzyl)thio]-5-ethyl-1H-1,2,4-triazole Formula: C13H17N3OS MolecularWeight: 263.35858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC=C(C=C2)OCC

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=C(C=C2)OCC

InChI

InChI=1S/C13H17N3OS/c1-3-12-14-13(16-15-12)18-9-10-5-7-11(8-6-10)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,16)