4-(2-methylpropyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methylpropyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-benzyl-4-isobutyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methylpropyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-benzyl-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-benzyl-4-isobutyl-1H-1,2,4-triazole-5-thione Formula: C13H17N3S MolecularWeight: 247.35918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NNC1=S)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C(=NNC1=S)CC2=CC=CC=C2

InChI

InChI=1S/C13H17N3S/c1-10(2)9-16-12(14-15-13(16)17)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17)