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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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