3-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(4-chloro-1-methyl-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chloro-1-methyl-3-pyrazolyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(4-chloro-1-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(4-chloro-1-methyl-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione Formula: C13H12ClN5S MolecularWeight: 305.78588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=NNC(=S)N2CC3=CC=CC=C3)Cl

Isomeric SMILES

CN1C=C(C(=N1)C2=NNC(=S)N2CC3=CC=CC=C3)Cl

InChI

InChI=1S/C13H12ClN5S/c1-18-8-10(14)11(17-18)12-15-16-13(20)19(12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)