sodium 2-methylsulfanyl-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-9-one

Systemtic Name: sodium 2-methylsulfanyl-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-9-one Openeye Name: sodium 2-methylsulfanyl-6-(2H-tetrazol-5-yl)xanthen-9-one CAS Name: sodium 2-(methylthio)-6-(2H-tetrazol-5-yl)-9-xanthenone IUPAC Name: sodium 2-methylsulfanyl-6-(2H-tetrazol-5-yl)xanthen-9-one Traditional Name: sodium 2-(methylthio)-6-(2H-tetrazol-5-yl)xanthone Formula: C15H10N4NaO2S+ MolecularWeight: 333.32027

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4.[Na+]

Isomeric SMILES

CSC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)C4=NNN=N4.[Na+]

InChI

InChI=1S/C15H10N4O2S.Na/c1-22-9-3-5-12-11(7-9)14(20)10-4-2-8(6-13(10)21-12)15-16-18-19-17-15;/h2-7H,1H3,(H,16,17,18,19);/q;+1