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

Systemtic Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide Openeye Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide CAS Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide IUPAC Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide Traditional Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide Formula: C13H14N4O5S2 MolecularWeight: 370.40406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=NN=C(S1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)C1=NN=C(S1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S2/c1-2-3-8-24(21,22)13-16-15-12(23-13)14-11(18)9-6-4-5-7-10(9)17(19)20/h4-7H,2-3,8H2,1H3,(H,14,15,18)