dibenzofuran-2-yl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: dibenzofuran-2-yl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: dibenzofuran-2-yl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid dibenzofuran-2-yl ester Formula: C22H14N4O5S MolecularWeight: 446.43536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O5S/c1-25-12-23-24-22(25)32-20-9-6-13(10-17(20)26(28)29)21(27)30-14-7-8-19-16(11-14)15-4-2-3-5-18(15)31-19/h2-12H,1H3