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

Systemtic Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-4-chloranyl-3-nitro-benzamide Openeye Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-nitro-benzamide CAS Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-nitrobenzamide IUPAC Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-nitrobenzamide Traditional Name: N-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-nitro-benzamide Formula: C13H13ClN4O5S2 MolecularWeight: 404.84912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O5S2/c1-2-3-6-25(22,23)13-17-16-12(24-13)15-11(19)8-4-5-9(14)10(7-8)18(20)21/h4-5,7H,2-3,6H2,1H3,(H,15,16,19)