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

Systemtic Name: 3,5-dinitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-dinitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,5-dinitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,5-dinitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H15N5O6S MolecularWeight: 429.4066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6S/c24-17(12-9-13(22(25)26)11-14(10-12)23(27)28)19-18-21-20-16(30-18)7-4-8-29-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8H2,(H,19,21,24)