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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)C

InChI

InChI=1S/C14H19N3OS/c1-3-4-9-18-13-7-5-12(6-8-13)10-19-14-15-11(2)16-17-14/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,17)