3-phenethylsulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-phenethylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-phenethylsulfanyl-1,2,4-triazin-5-olate CAS Name: 3-(phenethylthio)-1,2,4-triazin-5-olate IUPAC Name: 3-phenethylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-(phenethylthio)-1,2,4-triazin-5-olate Formula: C11H10N3OS- MolecularWeight: 232.2816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=CN=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=CN=N2)[O-]

InChI

InChI=1S/C11H11N3OS/c15-10-8-12-14-11(13-10)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14,15)/p-1