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

Systemtic Name: 6-methyl-3-(phenylmethylsulfanyl)-1,2,4-triazin-5-olate Openeye Name: 3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-(phenylmethylthio)-1,2,4-triazin-5-olate IUPAC Name: 3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-(benzylthio)-6-methyl-1,2,4-triazin-5-olate Formula: C11H10N3OS- MolecularWeight: 232.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C11H11N3OS/c1-8-10(15)12-11(14-13-8)16-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14,15)/p-1