4-methyl-1-phenyl-4-(sulfanylmethyl)pyrazolidin-3-one

Systemtic Name: 4-methyl-1-phenyl-4-(sulfanylmethyl)pyrazolidin-3-one Openeye Name: 4-methyl-1-phenyl-4-(sulfanylmethyl)pyrazolidin-3-one CAS Name: 4-(mercaptomethyl)-4-methyl-1-phenyl-3-pyrazolidinone IUPAC Name: 4-methyl-1-phenyl-4-(sulfanylmethyl)pyrazolidin-3-one Traditional Name: 4-(mercaptomethyl)-4-methyl-1-phenyl-pyrazolidin-3-one Formula: C11H14N2OS MolecularWeight: 222.30666

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=CC=C2)CS

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=CC=C2)CS

InChI

InChI=1S/C11H14N2OS/c1-11(8-15)7-13(12-10(11)14)9-5-3-2-4-6-9/h2-6,15H,7-8H2,1H3,(H,12,14)