5-ethyl-3-(oxan-2-ylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-ethyl-3-(oxan-2-ylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-ethyl-3-(tetrahydropyran-2-ylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole CAS Name: 5-ethyl-3-(2-oxanylmethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-ethyl-3-(oxan-2-ylmethylsulfanyl)-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-ethyl-3-(tetrahydropyran-2-ylmethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4CCCCO4

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4CCCCO4

InChI

InChI=1S/C17H20N4OS/c1-2-21-14-9-4-3-8-13(14)15-16(21)18-17(20-19-15)23-11-12-7-5-6-10-22-12/h3-4,8-9,12H,2,5-7,10-11H2,1H3