3-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C19H16BrN5OS MolecularWeight: 442.33224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C19H16BrN5OS/c1-26-17-5-3-2-4-16(17)25-18(22-23-19(25)27)14-8-6-13(7-9-14)11-24-12-15(20)10-21-24/h2-10,12H,11H2,1H3,(H,23,27)