1-butyl-3-methylsulfanyl-2H-1,2,4-triazin-1-ium-5-one

Systemtic Name: 1-butyl-3-methylsulfanyl-2H-1,2,4-triazin-1-ium-5-one Openeye Name: 1-butyl-3-methylsulfanyl-2H-1,2,4-triazin-1-ium-5-one CAS Name: 1-butyl-3-(methylthio)-2H-1,2,4-triazin-1-ium-5-one IUPAC Name: 1-butyl-3-methylsulfanyl-2H-1,2,4-triazin-1-ium-5-one Traditional Name: 1-butyl-3-(methylthio)-2H-1,2,4-triazin-1-ium-5-one Formula: C8H14N3OS+ MolecularWeight: 200.28126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC(=O)N=C(N1)SC

Isomeric SMILES

CCCC[N+]1=CC(=O)N=C(N1)SC

InChI

InChI=1S/C8H13N3OS/c1-3-4-5-11-6-7(12)9-8(10-11)13-2/h6H,3-5H2,1-2H3/p+1