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

Systemtic Name: 3-chloranyl-N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide Openeye Name: 3-chloro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide CAS Name: 3-chloro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide IUPAC Name: 3-chloro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide Traditional Name: 3-chloro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide Formula: C15H17ClN4O3S MolecularWeight: 368.83848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H17ClN4O3S/c1-2-3-4-5-6-13-18-19-15(24-13)17-14(21)10-7-8-12(20(22)23)11(16)9-10/h7-9H,2-6H2,1H3,(H,17,19,21)