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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)C

InChI

InChI=1S/C15H21N3OS/c1-3-4-5-10-19-14-8-6-13(7-9-14)11-20-15-16-12(2)17-18-15/h6-9H,3-5,10-11H2,1-2H3,(H,16,17,18)