1-(3-butylsulfonyl-3-ethanoyl-1,1-dimethyl-2H-1,3,4-thiadiazol-3-ium-2-yl)urea

Systemtic Name: 1-(3-butylsulfonyl-3-ethanoyl-1,1-dimethyl-2H-1,3,4-thiadiazol-3-ium-2-yl)urea Openeye Name: (3-acetyl-3-butylsulfonyl-1,1-dimethyl-2H-1,3,4-thiadiazol-3-ium-2-yl)urea CAS Name: (3-acetyl-3-butylsulfonyl-1,1-dimethyl-2H-1,3,4-thiadiazol-3-ium-2-yl)urea IUPAC Name: (3-acetyl-3-butylsulfonyl-1,1-dimethyl-2H-1,3,4-thiadiazol-3-ium-2-yl)urea Traditional Name: (3-acetyl-3-butylsulfonyl-1,1-dimethyl-2H-1,3,4-thiadiazol-3-ium-2-yl)urea Formula: C11H23N4O4S2+ MolecularWeight: 339.45472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)[N+]1(C(S(C=N1)(C)C)NC(=O)N)C(=O)C

Isomeric SMILES

CCCCS(=O)(=O)[N+]1(C(S(C=N1)(C)C)NC(=O)N)C(=O)C

InChI

InChI=1S/C11H22N4O4S2/c1-5-6-7-21(18,19)15(9(2)16)11(14-10(12)17)20(3,4)8-13-15/h8,11H,5-7H2,1-4H3,(H2-,12,14,17)/p+1