5-(2-methyl-3,5-dinitro-phenyl)-3H-1,3,4-thiadiazol-2-one

Systemtic Name: 5-(2-methyl-3,5-dinitro-phenyl)-3H-1,3,4-thiadiazol-2-one Openeye Name: 5-(2-methyl-3,5-dinitro-phenyl)-3H-1,3,4-thiadiazol-2-one CAS Name: 5-(2-methyl-3,5-dinitrophenyl)-3H-1,3,4-thiadiazol-2-one IUPAC Name: 5-(2-methyl-3,5-dinitrophenyl)-3H-1,3,4-thiadiazol-2-one Traditional Name: 5-(2-methyl-3,5-dinitro-phenyl)-3H-1,3,4-thiadiazol-2-one Formula: C9H6N4O5S MolecularWeight: 282.23274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=NNC(=O)S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C2=NNC(=O)S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H6N4O5S/c1-4-6(8-10-11-9(14)19-8)2-5(12(15)16)3-7(4)13(17)18/h2-3H,1H3,(H,11,14)