6-methyl-3-octylsulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-methyl-3-octylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-methyl-3-octylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-methyl-3-(octylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-methyl-3-octylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-methyl-3-(octylthio)-2H-1,2,4-triazin-5-one Formula: C12H21N3OS MolecularWeight: 255.37964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=O)C(=NN1)C

Isomeric SMILES

CCCCCCCCSC1=NC(=O)C(=NN1)C

InChI

InChI=1S/C12H21N3OS/c1-3-4-5-6-7-8-9-17-12-13-11(16)10(2)14-15-12/h3-9H2,1-2H3,(H,13,15,16)