S-(4-methyl-1,2,4-triazol-3-yl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(4-methyl-1,2,4-triazol-3-yl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-(4-methyl-1,2,4-triazol-3-yl) 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(4-methyl-1,2,4-triazol-3-yl) ester IUPAC Name: S-(4-methyl-1,2,4-triazol-3-yl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(4-methyl-1,2,4-triazol-3-yl) ester Formula: C10H7N5O5S MolecularWeight: 309.25808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N5O5S/c1-13-5-11-12-10(13)21-9(16)6-2-7(14(17)18)4-8(3-6)15(19)20/h2-5H,1H3