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

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: 2-(4-bromophenoxy)ethyl 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-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 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 2-(4-bromophenoxy)ethyl ester Formula: C18H15BrN4O5S MolecularWeight: 479.3045

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN4O5S/c1-22-11-20-21-18(22)29-16-7-2-12(10-15(16)23(25)26)17(24)28-9-8-27-14-5-3-13(19)4-6-14/h2-7,10-11H,8-9H2,1H3