sodium (E)-[3-methoxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[3-methoxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-methoxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-methoxy-1-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-methoxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[5-keto-3-methoxy-1-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-2-pyrazolin-4-ylidene]methanolate Formula: C8H7N4NaO3S2 MolecularWeight: 294.28595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C(=O)C1=C[O-])C2=NN=C(S2)SC.[Na+]

Isomeric SMILES

COC\1=NN(C(=O)/C1=C/[O-])C2=NN=C(S2)SC.[Na+]

InChI

InChI=1S/C8H8N4O3S2.Na/c1-15-5-4(3-13)6(14)12(11-5)7-9-10-8(16-2)17-7;/h3,13H,1-2H3;/q;+1/p-1/b4-3+;