2-[[5-[(2-tert-butyl-5-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzoate

Systemtic Name: 2-[[5-[(2-tert-butyl-5-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzoate Openeye Name: 2-[[4-allyl-5-[(2-tert-butyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzoate CAS Name: 2-[[5-[(2-tert-butyl-5-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3-nitrobenzoate IUPAC Name: 2-[[5-[(2-tert-butyl-5-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzoate Traditional Name: 2-[[4-allyl-5-[(2-tert-butyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3-nitro-benzoate Formula: C24H25N4O5S- MolecularWeight: 481.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OCC2=NN=C(N2CC=C)SC3=C(C=CC=C3[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OCC2=NN=C(N2CC=C)SC3=C(C=CC=C3[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C24H26N4O5S/c1-6-12-27-20(14-33-19-13-15(2)10-11-17(19)24(3,4)5)25-26-23(27)34-21-16(22(29)30)8-7-9-18(21)28(31)32/h6-11,13H,1,12,14H2,2-5H3,(H,29,30)/p-1