3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H22N4O6S MolecularWeight: 458.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c1-4-29-16-11-14(12-17(30-5-2)18(16)31-6-3)19(26)22-21-24-23-20(32-21)13-8-7-9-15(10-13)25(27)28/h7-12H,4-6H2,1-3H3,(H,22,24,26)