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

Systemtic Name: 3-(3-azaniumylpropylsulfanyl)-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-(3-azaniumylpropylsulfanyl)-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-(3-ammoniopropylthio)-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-(3-azaniumylpropylsulfanyl)-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-(3-ammoniopropylthio)-6-methyl-1,2,4-triazin-5-olate Formula: C7H12N4OS MolecularWeight: 200.26138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCCC[NH3+])[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCCC[NH3+])[O-]

InChI

InChI=1S/C7H12N4OS/c1-5-6(12)9-7(11-10-5)13-4-2-3-8/h2-4,8H2,1H3,(H,9,11,12)