N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide Openeye Name: 2,4-dinitro-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide IUPAC Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide Traditional Name: 2,4-dinitro-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H11N5O5S MolecularWeight: 385.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5S/c1-9-2-4-10(5-3-9)15-18-19-16(27-15)17-14(22)12-7-6-11(20(23)24)8-13(12)21(25)26/h2-8H,1H3,(H,17,19,22)