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

Systemtic Name: 3-(2-methylpropoxy)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-isobutoxy-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-methylpropoxy)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(2-methylpropoxy)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-isobutoxy-1H-1,2,4-triazole-5-thione Formula: C13H17N3OS MolecularWeight: 263.35858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NNC(=S)N1CC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=NNC(=S)N1CC2=CC=CC=C2

InChI

InChI=1S/C13H17N3OS/c1-10(2)9-17-12-14-15-13(18)16(12)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18)