N-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[[(2E)-3,7-dimethylocta-2,6-dienyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[[(2E)-3,7-dimethylocta-2,6-dienyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC(=CCC/C(=C/CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/C)C

InChI

InChI=1S/C19H22N4O3S2/c1-13(2)6-4-7-14(3)10-11-27-19-22-21-18(28-19)20-17(24)15-8-5-9-16(12-15)23(25)26/h5-6,8-10,12H,4,7,11H2,1-3H3,(H,20,21,24)/b14-10+