butyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitro-benzoate

Systemtic Name: butyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitro-benzoate Openeye Name: butyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitro-benzoate CAS Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3,5-dinitrobenzoic acid butyl ester IUPAC Name: butyl 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitrobenzoate Traditional Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3,5-dinitro-benzoic acid butyl ester Formula: C14H14N4O6S2 MolecularWeight: 398.41416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NN=C(S2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NN=C(S2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6S2/c1-3-4-5-24-13(19)9-6-10(17(20)21)12(11(7-9)18(22)23)26-14-16-15-8(2)25-14/h6-7H,3-5H2,1-2H3