5-(butan-2-ylsulfanylmethyl)-4-propan-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(butan-2-ylsulfanylmethyl)-4-propan-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-isopropyl-5-(sec-butylsulfanylmethyl)-1,2-dihydropyrazol-3-one CAS Name: 5-[(butan-2-ylthio)methyl]-4-propan-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 5-(butan-2-ylsulfanylmethyl)-4-propan-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-isopropyl-5-[(sec-butylthio)methyl]-3-pyrazolin-3-one Formula: C11H20N2OS MolecularWeight: 228.3543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=C(C(=O)NN1)C(C)C

Isomeric SMILES

CCC(C)SCC1=C(C(=O)NN1)C(C)C

InChI

InChI=1S/C11H20N2OS/c1-5-8(4)15-6-9-10(7(2)3)11(14)13-12-9/h7-8H,5-6H2,1-4H3,(H2,12,13,14)