dipropyl-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]azanium

Systemtic Name: dipropyl-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]azanium Openeye Name: dipropyl-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]ammonium CAS Name: dipropyl-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)ethyl]ammonium IUPAC Name: dipropyl-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]azanium Traditional Name: dipropyl-[2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)ethyl]ammonium Formula: C17H24N5S+ MolecularWeight: 330.47096

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCSC1=NC2=C(C3=CC=CC=C3N2)N=N1

Isomeric SMILES

CCC[NH+](CCC)CCSC1=NC2=C(C3=CC=CC=C3N2)N=N1

InChI

InChI=1S/C17H23N5S/c1-3-9-22(10-4-2)11-12-23-17-19-16-15(20-21-17)13-7-5-6-8-14(13)18-16/h5-8H,3-4,9-12H2,1-2H3,(H,18,19,21)/p+1