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

Systemtic Name: 3-(2-methylpropylsulfanyl)-6-(phenylmethyl)-1,2,4-triazin-5-olate Openeye Name: 6-benzyl-3-isobutylsulfanyl-1,2,4-triazin-5-olate CAS Name: 3-(2-methylpropylthio)-6-(phenylmethyl)-1,2,4-triazin-5-olate IUPAC Name: 6-benzyl-3-(2-methylpropylsulfanyl)-1,2,4-triazin-5-olate Traditional Name: 6-benzyl-3-(isobutylthio)-1,2,4-triazin-5-olate Formula: C14H16N3OS- MolecularWeight: 274.36134

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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/C14H17N3OS/c1-10(2)9-19-14-15-13(18)12(16-17-14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17,18)/p-1