N-[5-[[(5E)-5-methylocta-5,7-dienyl]amino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[[(5E)-5-methylocta-5,7-dienyl]amino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[[(5E)-5-methylocta-5,7-dienyl]amino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[[(5E)-5-methylocta-5,7-dienyl]amino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[[(5E)-5-methylocta-5,7-dienyl]amino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[[(5E)-5-methylocta-5,7-dienyl]amino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C18H21N5O3S MolecularWeight: 387.45604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C)CCCCNC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C=C)/CCCCNC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3S/c1-3-7-13(2)8-4-5-11-19-17-21-22-18(27-17)20-16(24)14-9-6-10-15(12-14)23(25)26/h3,6-7,9-10,12H,1,4-5,8,11H2,2H3,(H,19,21)(H,20,22,24)/b13-7+