3-octylsulfanyl-9H-[1,2,4]triazino[6,5-b]indole

Systemtic Name: 3-octylsulfanyl-9H-[1,2,4]triazino[6,5-b]indole Openeye Name: 3-octylsulfanyl-9H-[1,2,4]triazino[6,5-b]indole CAS Name: 3-(octylthio)-9H-[1,2,4]triazino[6,5-b]indole IUPAC Name: 3-octylsulfanyl-9H-[1,2,4]triazino[6,5-b]indole Traditional Name: 3-(octylthio)-9H-[1,2,4]triazin[6,5-b]indole Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(NC3=CC=CC=C32)N=N1

Isomeric SMILES

CCCCCCCCSC1=NC2=C(NC3=CC=CC=C32)N=N1

InChI

InChI=1S/C17H22N4S/c1-2-3-4-5-6-9-12-22-17-19-15-13-10-7-8-11-14(13)18-16(15)20-21-17/h7-8,10-11H,2-6,9,12H2,1H3,(H,18,20)