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

Systemtic Name: 3-(2-methylprop-2-enylsulfanyl)-6-(phenylmethyl)-1,2,4-triazin-5-olate Openeye Name: 6-benzyl-3-(2-methylallylsulfanyl)-1,2,4-triazin-5-olate CAS Name: 3-(2-methylprop-2-enylthio)-6-(phenylmethyl)-1,2,4-triazin-5-olate IUPAC Name: 6-benzyl-3-(2-methylprop-2-enylsulfanyl)-1,2,4-triazin-5-olate Traditional Name: 6-benzyl-3-(2-methylallylthio)-1,2,4-triazin-5-olate Formula: C14H14N3OS- MolecularWeight: 272.34546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC(=C(N=N1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(=C)CSC1=NC(=C(N=N1)CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H15N3OS/c1-10(2)9-19-14-15-13(18)12(16-17-14)8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,15,17,18)/p-1