1-(3-propan-2-ylsulfanyl-1,2,4-triazin-5-yl)pentan-1-one

Systemtic Name: 1-(3-propan-2-ylsulfanyl-1,2,4-triazin-5-yl)pentan-1-one Openeye Name: 1-(3-isopropylsulfanyl-1,2,4-triazin-5-yl)pentan-1-one CAS Name: 1-[3-(propan-2-ylthio)-1,2,4-triazin-5-yl]-1-pentanone IUPAC Name: 1-(3-propan-2-ylsulfanyl-1,2,4-triazin-5-yl)pentan-1-one Traditional Name: 1-[3-(isopropylthio)-1,2,4-triazin-5-yl]pentan-1-one Formula: C11H17N3OS MolecularWeight: 239.33718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CN=NC(=N1)SC(C)C

Isomeric SMILES

CCCCC(=O)C1=CN=NC(=N1)SC(C)C

InChI

InChI=1S/C11H17N3OS/c1-4-5-6-10(15)9-7-12-14-11(13-9)16-8(2)3/h7-8H,4-6H2,1-3H3