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

Systemtic Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide CAS Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/c1-2-3-4-5-6-13-17-18-15(23-13)16-14(20)11-7-9-12(10-8-11)19(21)22/h7-10H,2-6H2,1H3,(H,16,18,20)