6-[(4-methylphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate

Systemtic Name: 6-[(4-methylphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate Openeye Name: 6-(p-tolylmethyl)-3-thioxo-2H-1,2,4-triazin-5-olate CAS Name: 6-[(4-methylphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate IUPAC Name: 6-[(4-methylphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate Traditional Name: 6-(4-methylbenzyl)-3-thioxo-2H-1,2,4-triazin-5-olate Formula: C11H10N3OS- MolecularWeight: 232.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NNC(=S)N=C2[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NNC(=S)N=C2[O-]

InChI

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