4-pentyl-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-pentyl-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-pentyl-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-pentyl-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-pentyl-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-amyl-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C13H17N3S MolecularWeight: 247.35918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NNC1=S)C2=CC=CC=C2

Isomeric SMILES

CCCCCN1C(=NNC1=S)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3S/c1-2-3-7-10-16-12(14-15-13(16)17)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,17)