3-hexylsulfanyl-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-hexylsulfanyl-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole Openeye Name: 3-hexylsulfanyl-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole CAS Name: 3-(hexylthio)-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3-hexylsulfanyl-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(hexylthio)-5-o-anisyl-1H-1,2,4-triazole Formula: C16H23N3OS MolecularWeight: 305.43832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)CC2=CC=CC=C2OC

Isomeric SMILES

CCCCCCSC1=NNC(=N1)CC2=CC=CC=C2OC

InChI

InChI=1S/C16H23N3OS/c1-3-4-5-8-11-21-16-17-15(18-19-16)12-13-9-6-7-10-14(13)20-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,17,18,19)