N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(2-furylmethylsulfanyl)propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(2-furanylmethylthio)propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)propanamide Traditional Name: 2-(2-furfurylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SCC3=CC=CO3

InChI

InChI=1S/C19H21N3O3S/c1-13-17(19(24)22(21(13)3)15-8-5-4-6-9-15)20-18(23)14(2)26-12-16-10-7-11-25-16/h4-11,14H,12H2,1-3H3,(H,20,23)