2-chloranyl-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2-chloro-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 2-chloro-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 2-chloro-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2-chloro-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H21ClN4O3S/c1-2-3-4-5-6-7-8-15-20-21-17(26-15)19-16(23)13-10-9-12(22(24)25)11-14(13)18/h9-11H,2-8H2,1H3,(H,19,21,23)