N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[4-(p-tolyl)thiazol-2-yl]benzamide CAS Name: N-[4-(4-methylphenyl)-2-thiazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[4-(p-tolyl)thiazol-2-yl]benzamide Formula: C17H12N4O5S MolecularWeight: 384.36598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5S/c1-10-2-4-11(5-3-10)15-9-27-17(18-15)19-16(22)12-6-13(20(23)24)8-14(7-12)21(25)26/h2-9H,1H3,(H,18,19,22)