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

Systemtic Name: 6-(phenylmethyl)-3-propylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-benzyl-3-propylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(phenylmethyl)-3-(propylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-benzyl-3-propylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-benzyl-3-(propylthio)-1,2,4-triazin-5-olate Formula: C13H14N3OS- MolecularWeight: 260.33476

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(N=N1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

CCCSC1=NC(=C(N=N1)CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H15N3OS/c1-2-8-18-13-14-12(17)11(15-16-13)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16,17)/p-1