3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-olate

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-olate Openeye Name: 3-(o-tolylmethylsulfanyl)-1,2,4-triazin-5-olate CAS Name: 3-[(2-methylphenyl)methylthio]-1,2,4-triazin-5-olate IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-olate Traditional Name: 3-[(2-methylbenzyl)thio]-1,2,4-triazin-5-olate Formula: C11H10N3OS- MolecularWeight: 232.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=CN=N2)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=CN=N2)[O-]

InChI

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