8-ethyl-3-hexylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 8-ethyl-3-hexylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-ethyl-3-hexylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 8-ethyl-3-(hexylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-ethyl-3-hexylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-ethyl-3-(hexylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=C(N2)C=CC(=C3)CC)N=N1

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=C(N2)C=CC(=C3)CC)N=N1

InChI

InChI=1S/C17H22N4S/c1-3-5-6-7-10-22-17-19-16-15(20-21-17)13-11-12(4-2)8-9-14(13)18-16/h8-9,11H,3-7,10H2,1-2H3,(H,18,19,21)