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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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