2-nitro-N-[5-(2-oxidanylidenebutyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-nitro-N-[5-(2-oxidanylidenebutyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-nitro-N-[5-(2-oxobutyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-nitro-N-[5-(2-oxobutyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-nitro-N-[5-(2-oxobutyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-(2-ketobutyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c1-2-8(18)7-11-15-16-13(22-11)14-12(19)9-5-3-4-6-10(9)17(20)21/h3-6H,2,7H2,1H3,(H,14,16,19)