3-(2-butylsulfanylethyl)-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-butylsulfanylethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-butylsulfanylethyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(butylthio)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-butylsulfanylethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(butylthio)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C14H19N3S2 MolecularWeight: 293.45076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCSCCC1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C14H19N3S2/c1-2-3-10-19-11-9-13-15-16-14(18)17(13)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,18)