3-(oxan-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(oxan-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 4-propyl-3-(tetrahydropyran-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 3-(2-oxanylmethylthio)-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(oxan-2-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 4-propyl-3-(tetrahydropyran-2-ylmethylthio)-1H-1,2,4-triazol-5-one Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2CCCCO2

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2CCCCO2

InChI

InChI=1S/C11H19N3O2S/c1-2-6-14-10(15)12-13-11(14)17-8-9-5-3-4-7-16-9/h9H,2-8H2,1H3,(H,12,15)