4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: 4-methyl-N-(4-methylthiazol-2-yl)-3,5-dinitro-benzamide CAS Name: 4-methyl-N-(4-methyl-2-thiazolyl)-3,5-dinitrobenzamide IUPAC Name: 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: 4-methyl-N-(4-methylthiazol-2-yl)-3,5-dinitro-benzamide Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5S/c1-6-5-22-12(13-6)14-11(17)8-3-9(15(18)19)7(2)10(4-8)16(20)21/h3-5H,1-2H3,(H,13,14,17)