2-[(8-azanyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl-diethyl-azanium

Systemtic Name: 2-[(8-azanyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[(8-amino-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[(8-amino-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethyl-diethylammonium IUPAC Name: 2-[(8-amino-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl-diethylazanium Traditional Name: 2-[(8-amino-5H-[1,2,4]triazin[5,6-b]indol-3-yl)thio]ethyl-diethyl-ammonium Formula: C15H21N6S+ MolecularWeight: 317.43244

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC2=C(C3=C(N2)C=CC(=C3)N)N=N1

Isomeric SMILES

CC[NH+](CC)CCSC1=NC2=C(C3=C(N2)C=CC(=C3)N)N=N1

InChI

InChI=1S/C15H20N6S/c1-3-21(4-2)7-8-22-15-18-14-13(19-20-15)11-9-10(16)5-6-12(11)17-14/h5-6,9H,3-4,7-8,16H2,1-2H3,(H,17,18,20)/p+1