2-methyl-5-(propylsulfanylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-methyl-5-(propylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-methyl-5-(propylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-methyl-5-[(propylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-5-(propylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-methyl-5-[(propylthio)methyl]-3-pyrazolin-3-one Formula: C8H14N2OS MolecularWeight: 186.27456

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=CC(=O)N(N1)C

Isomeric SMILES

CCCSCC1=CC(=O)N(N1)C

InChI

InChI=1S/C8H14N2OS/c1-3-4-12-6-7-5-8(11)10(2)9-7/h5,9H,3-4,6H2,1-2H3