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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-2-3-4-11-15-16-13(21-11)14-12(18)9-5-7-10(8-6-9)17(19)20/h5-8H,2-4H2,1H3,(H,14,16,18)