3-butylsulfanyl-7-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 3-butylsulfanyl-7-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium Openeye Name: 3-butylsulfanyl-7-chloro-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 3-(butylthio)-7-chloro-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 3-butylsulfanyl-7-chloro-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 3-(butylthio)-7-chloro-1-oxido-1,2,4-benzotriazin-1-ium Formula: C11H12ClN3OS MolecularWeight: 269.75048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C=C(C=C2)Cl)[N+](=N1)[O-]

Isomeric SMILES

CCCCSC1=NC2=C(C=C(C=C2)Cl)[N+](=N1)[O-]

InChI

InChI=1S/C11H12ClN3OS/c1-2-3-6-17-11-13-9-5-4-8(12)7-10(9)15(16)14-11/h4-5,7H,2-3,6H2,1H3