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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5S/c22-15(11-7-12(20(23)24)9-13(8-11)21(25)26)17-16-19-18-14(27-16)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,17,19,22)