3-(pyridin-2-ylmethylsulfanyl)-8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-(pyridin-2-ylmethylsulfanyl)-8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-(2-pyridylmethylsulfanyl)-8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(2-pyridinylmethylthio)-8-(1-pyrrolidinylsulfonyl)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-(pyridin-2-ylmethylsulfanyl)-8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(2-pyridylmethylthio)-8-pyrrolidinosulfonyl-5H-[1,2,4]triazin[5,6-b]indole Formula: C19H18N6O2S2 MolecularWeight: 426.51522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC4=C3N=NC(=N4)SCC5=CC=CC=N5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC4=C3N=NC(=N4)SCC5=CC=CC=N5

InChI

InChI=1S/C19H18N6O2S2/c26-29(27,25-9-3-4-10-25)14-6-7-16-15(11-14)17-18(21-16)22-19(24-23-17)28-12-13-5-1-2-8-20-13/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,22,24)