6-butylsulfanyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 6-butylsulfanyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 6-butylsulfanyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 6-(butylthio)-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 6-butylsulfanyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: [6-(butylthio)-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amine Formula: C11H14N4OS MolecularWeight: 250.32006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC2=C(C=C1)[N+](=NC(=N2)N)[O-]

Isomeric SMILES

CCCCSC1=CC2=C(C=C1)[N+](=NC(=N2)N)[O-]

InChI

InChI=1S/C11H14N4OS/c1-2-3-6-17-8-4-5-10-9(7-8)13-11(12)14-15(10)16/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14)