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

Systemtic Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3,5-dinitro-benzamide Formula: C18H14N4O5S MolecularWeight: 398.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O5S/c1-10-3-4-12(5-11(10)2)16-9-28-18(19-16)20-17(23)13-6-14(21(24)25)8-15(7-13)22(26)27/h3-9H,1-2H3,(H,19,20,23)