3-bromanyl-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine

Systemtic Name: 3-bromanyl-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 3-bromo-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 3-bromo-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitropyridine IUPAC Name: 3-bromo-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 3-bromo-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C24H22BrN5O3S MolecularWeight: 540.43218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=N4)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C24H22BrN5O3S/c1-24(2,3)16-9-11-19(12-10-16)33-15-21-27-28-23(29(21)17-7-5-4-6-8-17)34-22-20(25)13-18(14-26-22)30(31)32/h4-14H,15H2,1-3H3