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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)CNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)CNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c1-11-3-2-4-12(7-11)18-20-13(10-28-18)9-19-17(23)15-6-5-14(21(24)25)8-16(15)22(26)27/h2-8,10H,9H2,1H3,(H,19,23)