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

Systemtic Name: 4-(2-bromanyl-4-methyl-phenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-bromo-4-methyl-phenyl)-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-bromo-4-methylphenyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-bromo-4-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-bromo-4-methyl-phenyl)-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H11BrN4S MolecularWeight: 347.23294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CN=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CN=CC=C3)Br

InChI

InChI=1S/C14H11BrN4S/c1-9-4-5-12(11(15)7-9)19-13(17-18-14(19)20)10-3-2-6-16-8-10/h2-8H,1H3,(H,18,20)