sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxidanylidene-2-sulfo-butanoate

Systemtic Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxidanylidene-2-sulfo-butanoate Openeye Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-2-sulfo-butanoate CAS Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-2-sulfobutanoate IUPAC Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-2-sulfobutanoate Traditional Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-keto-2-sulfo-butyrate Formula: C10H14N3NaO6S2 MolecularWeight: 359.35443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CC(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CC(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C10H15N3O6S2.Na/c1-2-3-4-8-12-13-10(20-8)11-7(14)5-6(9(15)16)21(17,18)19;/h6H,2-5H2,1H3,(H,15,16)(H,11,13,14)(H,17,18,19);/q;+1/p-1