3-(3-azanylpropylsulfanyl)-6-(4-methylphenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(3-azanylpropylsulfanyl)-6-(4-methylphenyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-(3-aminopropylsulfanyl)-6-(p-tolyl)-2H-1,2,4-triazin-5-one CAS Name: 3-(3-aminopropylthio)-6-(4-methylphenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-(3-aminopropylsulfanyl)-6-(4-methylphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(3-aminopropylthio)-6-(p-tolyl)-2H-1,2,4-triazin-5-one Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=NC2=O)SCCCN

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=NC2=O)SCCCN

InChI

InChI=1S/C13H16N4OS/c1-9-3-5-10(6-4-9)11-12(18)15-13(17-16-11)19-8-2-7-14/h3-6H,2,7-8,14H2,1H3,(H,15,17,18)