3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)oxolan-2-one

Systemtic Name: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)oxolan-2-one Openeye Name: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)tetrahydrofuran-2-one CAS Name: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-2-oxolanone IUPAC Name: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)oxolan-2-one Traditional Name: 3-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)tetrahydrofuran-2-one Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

C1COC(=O)C1SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C13H10N4O2S/c18-12-9(5-6-19-12)20-13-15-11-10(16-17-13)7-3-1-2-4-8(7)14-11/h1-4,9H,5-6H2,(H,14,15,17)