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

Systemtic Name: 3,5-dinitro-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-dinitro-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,5-dinitro-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,5-dinitro-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O5S/c1-11(12-5-3-2-4-6-12)7-16-20-21-18(29-16)19-17(24)13-8-14(22(25)26)10-15(9-13)23(27)28/h2-6,8-11H,7H2,1H3,(H,19,21,24)