4-(2-bromanyl-4-methyl-phenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-bromanyl-4-methyl-phenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-bromo-4-methyl-phenyl)-3-[5-(2-furyl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-bromo-4-methylphenyl)-3-[5-(2-furanyl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-bromo-4-methylphenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-bromo-4-methyl-phenyl)-3-[5-(2-furyl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione Formula: C16H12BrN5OS MolecularWeight: 402.26838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4)Br

InChI

InChI=1S/C16H12BrN5OS/c1-9-4-5-13(10(17)7-9)22-15(20-21-16(22)24)12-8-11(18-19-12)14-3-2-6-23-14/h2-8H,1H3,(H,18,19)(H,21,24)