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

Systemtic Name: 4-(4-bromanyl-3-methyl-phenyl)-3-(2-phenoxypyridin-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-bromo-3-methyl-phenyl)-3-(2-phenoxy-3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-bromo-3-methylphenyl)-3-(2-phenoxy-3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-bromo-3-methylphenyl)-3-(2-phenoxypyridin-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-bromo-3-methyl-phenyl)-3-(2-phenoxy-3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C20H15BrN4OS MolecularWeight: 439.3283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=NNC2=S)C3=C(N=CC=C3)OC4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=NNC2=S)C3=C(N=CC=C3)OC4=CC=CC=C4)Br

InChI

InChI=1S/C20H15BrN4OS/c1-13-12-14(9-10-17(13)21)25-18(23-24-20(25)27)16-8-5-11-22-19(16)26-15-6-3-2-4-7-15/h2-12H,1H3,(H,24,27)