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

Systemtic Name: 3-(3-azaniumylpropylsulfanyl)-6-(phenylmethyl)-1,2,4-triazin-5-olate Openeye Name: 3-(3-azaniumylpropylsulfanyl)-6-benzyl-1,2,4-triazin-5-olate CAS Name: 3-(3-ammoniopropylthio)-6-(phenylmethyl)-1,2,4-triazin-5-olate IUPAC Name: 3-(3-azaniumylpropylsulfanyl)-6-benzyl-1,2,4-triazin-5-olate Traditional Name: 3-(3-ammoniopropylthio)-6-benzyl-1,2,4-triazin-5-olate Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCCC[NH3+])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCCC[NH3+])[O-]

InChI

InChI=1S/C13H16N4OS/c14-7-4-8-19-13-15-12(18)11(16-17-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2,(H,15,17,18)