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

Systemtic Name: 5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-[(4-isobutoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(4-isobutoxybenzyl)thio]-1H-1,2,4-triazole Formula: C15H21N3OS MolecularWeight: 291.41174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS/c1-4-14-16-15(18-17-14)20-10-12-5-7-13(8-6-12)19-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17,18)