pyrimidin-2-yl-[4-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-azanide

Systemtic Name: pyrimidin-2-yl-[4-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-azanide Openeye Name: pyrimidin-2-yl-[4-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-azanide CAS Name: [4-[[1-oxo-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)ethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: pyrimidin-2-yl-[4-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]phenyl]sulfonylazanide Traditional Name: 2-pyrimidyl-[4-[[2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)acetyl]amino]phenyl]sulfonyl-azanide Formula: C21H15N8O3S2- MolecularWeight: 491.5256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)[N-]C5=NC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)[N-]C5=NC=CC=N5

InChI

InChI=1S/C21H16N8O3S2/c30-17(12-33-21-26-19-18(27-28-21)15-4-1-2-5-16(15)25-19)24-13-6-8-14(9-7-13)34(31,32)29-20-22-10-3-11-23-20/h1-11H,12H2,(H3,22,23,24,25,26,27,28,29,30)/p-1