3-pentylsulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-pentylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 3-pentylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 3-(pentylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 3-pentylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(amylthio)-2H-1,2,4-triazin-5-one Formula: C8H13N3OS MolecularWeight: 199.27332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C=NN1

Isomeric SMILES

CCCCCSC1=NC(=O)C=NN1

InChI

InChI=1S/C8H13N3OS/c1-2-3-4-5-13-8-10-7(12)6-9-11-8/h6H,2-5H2,1H3,(H,10,11,12)