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

Systemtic Name: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[4-(4-chlorophenyl)-5-methyl-2-thiazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]-3,5-dinitro-benzamide Formula: C17H11ClN4O5S MolecularWeight: 418.81104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H11ClN4O5S/c1-9-15(10-2-4-12(18)5-3-10)19-17(28-9)20-16(23)11-6-13(21(24)25)8-14(7-11)22(26)27/h2-8H,1H3,(H,19,20,23)