6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-(phenacylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-methyl-3-(phenacylthio)-1,2,4-triazin-5-olate Formula: C12H10N3O2S- MolecularWeight: 260.2917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H11N3O2S/c1-8-11(17)13-12(15-14-8)18-7-10(16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,15,17)/p-1