1-(3-methylsulfanyl-1,2,4-triazin-5-yl)butan-1-one

Systemtic Name: 1-(3-methylsulfanyl-1,2,4-triazin-5-yl)butan-1-one Openeye Name: 1-(3-methylsulfanyl-1,2,4-triazin-5-yl)butan-1-one CAS Name: 1-[3-(methylthio)-1,2,4-triazin-5-yl]-1-butanone IUPAC Name: 1-(3-methylsulfanyl-1,2,4-triazin-5-yl)butan-1-one Traditional Name: 1-[3-(methylthio)-1,2,4-triazin-5-yl]butan-1-one Formula: C8H11N3OS MolecularWeight: 197.25744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=NC(=N1)SC

Isomeric SMILES

CCCC(=O)C1=CN=NC(=N1)SC

InChI

InChI=1S/C8H11N3OS/c1-3-4-7(12)6-5-9-11-8(10-6)13-2/h5H,3-4H2,1-2H3