3-ethylsulfanyl-6-(phenylmethyl)-1,2,4-triazin-5-olate

Systemtic Name: 3-ethylsulfanyl-6-(phenylmethyl)-1,2,4-triazin-5-olate Openeye Name: 6-benzyl-3-ethylsulfanyl-1,2,4-triazin-5-olate CAS Name: 3-(ethylthio)-6-(phenylmethyl)-1,2,4-triazin-5-olate IUPAC Name: 6-benzyl-3-ethylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-benzyl-3-(ethylthio)-1,2,4-triazin-5-olate Formula: C12H12N3OS- MolecularWeight: 246.30818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(N=N1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

CCSC1=NC(=C(N=N1)CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H13N3OS/c1-2-17-12-13-11(16)10(14-15-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16)/p-1