1-butyl-3-(4-nitrothiophen-2-yl)sulfonyl-urea

Systemtic Name: 1-butyl-3-(4-nitrothiophen-2-yl)sulfonyl-urea Openeye Name: 1-butyl-3-[(4-nitro-2-thienyl)sulfonyl]urea CAS Name: 1-butyl-3-[(4-nitro-2-thiophenyl)sulfonyl]urea IUPAC Name: 1-butyl-3-(4-nitrothiophen-2-yl)sulfonylurea Traditional Name: 1-butyl-3-[(4-nitro-2-thienyl)sulfonyl]urea Formula: C9H13N3O5S2 MolecularWeight: 307.34662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC(=CS1)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC(=CS1)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O5S2/c1-2-3-4-10-9(13)11-19(16,17)8-5-7(6-18-8)12(14)15/h5-6H,2-4H2,1H3,(H2,10,11,13)