6-methyl-3-(2-phenoxyethylsulfanyl)-1,2,4-triazin-5-olate

Systemtic Name: 6-methyl-3-(2-phenoxyethylsulfanyl)-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-(2-phenoxyethylsulfanyl)-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-(2-phenoxyethylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-(2-phenoxyethylsulfanyl)-1,2,4-triazin-5-olate Traditional Name: 6-methyl-3-(2-phenoxyethylthio)-1,2,4-triazin-5-olate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCCOC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCCOC2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H13N3O2S/c1-9-11(16)13-12(15-14-9)18-8-7-17-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15,16)/p-1