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

Systemtic Name: 5-methyl-3-[[4-(2-methylpropoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[(4-isobutoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 5-methyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[[4-(2-methylpropoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(4-isobutoxybenzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C14H19N3OS/c1-10(2)8-18-13-6-4-12(5-7-13)9-19-14-15-11(3)16-17-14/h4-7,10H,8-9H2,1-3H3,(H,15,16,17)