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

Systemtic Name: 5-bromanyl-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 5-bromo-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 5-bromo-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 5-bromo-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 5-bromo-2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-3-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=NC=C(C=C4[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SC4=NC=C(C=C4[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)18-7-5-4-6-8-18)34-22-20(30(31)32)13-17(25)14-26-22/h4-14H,15H2,1-3H3