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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSCC2=CC(=O)NN2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSCC2=CC(=O)NN2

InChI

InChI=1S/C16H21N3O2S/c1-10(2)13-6-4-5-11(3)16(13)17-15(21)9-22-8-12-7-14(20)19-18-12/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H2,18,19,20)