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

Systemtic Name: 5-methyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[(4-isopentyloxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 5-methyl-3-[[4-(3-methylbutoxy)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(4-isoamoxybenzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C15H21N3OS MolecularWeight: 291.41174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS/c1-11(2)8-9-19-14-6-4-13(5-7-14)10-20-15-16-12(3)17-18-15/h4-7,11H,8-10H2,1-3H3,(H,16,17,18)