sodium 3-[(4,5-dibutyl-1,2,3-triazol-1-yl)methyl]-3-methyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3-[(4,5-dibutyl-1,2,3-triazol-1-yl)methyl]-3-methyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 3-[(4,5-dibutyltriazol-1-yl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3-[(4,5-dibutyl-1-triazolyl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3-[(4,5-dibutyltriazol-1-yl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 3-[(4,5-dibutyltriazol-1-yl)methyl]-4,4,7-triketo-3-methyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C18H27N4NaO5S MolecularWeight: 434.48555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=N1)CC2(C(N3C(S2(=O)=O)CC3=O)C(=O)[O-])C)CCCC.[Na+]

Isomeric SMILES

CCCCC1=C(N(N=N1)CC2(C(N3C(S2(=O)=O)CC3=O)C(=O)[O-])C)CCCC.[Na+]

InChI

InChI=1S/C18H28N4O5S.Na/c1-4-6-8-12-13(9-7-5-2)21(20-19-12)11-18(3)16(17(24)25)22-14(23)10-15(22)28(18,26)27;/h15-16H,4-11H2,1-3H3,(H,24,25);/q;+1/p-1