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

Systemtic Name: 3-(3-azaniumylpropylsulfanyl)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate Openeye Name: 3-(3-azaniumylpropylsulfanyl)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate CAS Name: 3-(3-ammoniopropylthio)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate IUPAC Name: 3-(3-azaniumylpropylsulfanyl)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate Traditional Name: 3-(3-ammoniopropylthio)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(N=C(N=N2)SCCC[NH3+])[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(N=C(N=N2)SCCC[NH3+])[O-])C

InChI

InChI=1S/C14H18N4OS/c1-9-4-5-11(8-10(9)2)12-13(19)16-14(18-17-12)20-7-3-6-15/h4-5,8H,3,6-7,15H2,1-2H3,(H,16,18,19)