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

Systemtic Name: 3-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S/c23-17(13-6-4-7-14(12-13)22(24)25)19-18-21-20-16(27-18)10-5-11-26-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H,19,21,23)