3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Formula: C16H19N5S MolecularWeight: 313.42056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC2=NNC(=S)N2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1CCC2=NNC(=S)N2CC3=CC=CC=C3)C

InChI

InChI=1S/C16H19N5S/c1-12-10-13(2)21(19-12)9-8-15-17-18-16(22)20(15)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,22)