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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O5S/c1-2-15-16(11-6-4-3-5-7-11)19-18(28-15)20-17(23)12-8-13(21(24)25)10-14(9-12)22(26)27/h3-10H,2H2,1H3,(H,19,20,23)