sodium 3-ethylsulfanyl-[1,2,4]triazino[5,6-b]indol-5-ide hydrate

Systemtic Name: sodium 3-ethylsulfanyl-[1,2,4]triazino[5,6-b]indol-5-ide hydrate Openeye Name: sodium 3-ethylsulfanyl-[1,2,4]triazino[5,6-b]indol-5-ide hydrate CAS Name: sodium 3-(ethylthio)-[1,2,4]triazino[5,6-b]indol-5-ide hydrate IUPAC Name: sodium 3-ethylsulfanyl-[1,2,4]triazino[5,6-b]indol-5-ide hydrate Traditional Name: sodium 3-(ethylthio)-[1,2,4]triazin[5,6-b]indol-5-ide hydrate Formula: C11H11N4NaOS MolecularWeight: 270.28601

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=CC=CC=C3[N-]2)N=N1.O.[Na+]

Isomeric SMILES

CCSC1=NC2=C(C3=CC=CC=C3[N-]2)N=N1.O.[Na+]

InChI

InChI=1S/C11H9N4S.Na.H2O/c1-2-16-11-13-10-9(14-15-11)7-5-3-4-6-8(7)12-10;;/h3-6H,2H2,1H3;;1H2/q-1;+1;