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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c1-2-3-8-11-15-16-13(21-11)14-12(18)9-6-4-5-7-10(9)17(19)20/h4-7H,2-3,8H2,1H3,(H,14,16,18)