4-(4-bromanyl-2-chloranyl-phenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-bromo-2-chloro-phenyl)-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-bromo-2-chlorophenyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-bromo-2-chlorophenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-bromo-2-chloro-phenyl)-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C13H8BrClN4S MolecularWeight: 367.65142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NNC(=S)N2C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NNC(=S)N2C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C13H8BrClN4S/c14-9-3-4-11(10(15)6-9)19-12(17-18-13(19)20)8-2-1-5-16-7-8/h1-7H,(H,18,20)