3-[(3-methylsulfanyl-1H-pyrazol-5-yl)amino]-5-phenyl-5-propyl-oxolan-2-one

Systemtic Name: 3-[(3-methylsulfanyl-1H-pyrazol-5-yl)amino]-5-phenyl-5-propyl-oxolan-2-one Openeye Name: 3-[(3-methylsulfanyl-1H-pyrazol-5-yl)amino]-5-phenyl-5-propyl-tetrahydrofuran-2-one CAS Name: 3-[[3-(methylthio)-1H-pyrazol-5-yl]amino]-5-phenyl-5-propyl-2-oxolanone IUPAC Name: 3-[(3-methylsulfanyl-1H-pyrazol-5-yl)amino]-5-phenyl-5-propyloxolan-2-one Traditional Name: 3-[[3-(methylthio)-1H-pyrazol-5-yl]amino]-5-phenyl-5-propyl-tetrahydrofuran-2-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(C(=O)O1)NC2=CC(=NN2)SC)C3=CC=CC=C3

Isomeric SMILES

CCCC1(CC(C(=O)O1)NC2=CC(=NN2)SC)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S/c1-3-9-17(12-7-5-4-6-8-12)11-13(16(21)22-17)18-14-10-15(23-2)20-19-14/h4-8,10,13H,3,9,11H2,1-2H3,(H2,18,19,20)