dimethylazanium; 6-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-olate

Systemtic Name: dimethylazanium; 6-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-olate Openeye Name: 6-benzyl-3-thioxo-2H-1,2,4-triazin-5-olate; dimethylammonium CAS Name: dimethylammonium; 6-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-olate IUPAC Name: 6-benzyl-3-sulfanylidene-2H-1,2,4-triazin-5-olate; dimethylazanium Traditional Name: 6-benzyl-3-thioxo-2H-1,2,4-triazin-5-olate; dimethylammonium Formula: C12H16N4OS MolecularWeight: 264.34664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C.C1=CC=C(C=C1)CC2=NNC(=S)N=C2[O-]

Isomeric SMILES

C[NH2+]C.C1=CC=C(C=C1)CC2=NNC(=S)N=C2[O-]

InChI

InChI=1S/C10H9N3OS.C2H7N/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2,(H2,11,13,14,15);3H,1-2H3