N-(2,6-diethylphenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[(5-keto-3-pyrazolin-3-yl)methylthio]acetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC2=CC(=O)NN2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC2=CC(=O)NN2

InChI

InChI=1S/C16H21N3O2S/c1-3-11-6-5-7-12(4-2)16(11)17-15(21)10-22-9-13-8-14(20)19-18-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)(H2,18,19,20)