N-[4-[(4E)-3-methyl-4-(methylsulfanylmethylidene)-5-oxidanylidene-pyrazol-1-yl]phenyl]decanamide

Systemtic Name: N-[4-[(4E)-3-methyl-4-(methylsulfanylmethylidene)-5-oxidanylidene-pyrazol-1-yl]phenyl]decanamide Openeye Name: N-[4-[(4E)-3-methyl-4-(methylsulfanylmethylene)-5-oxo-pyrazol-1-yl]phenyl]decanamide CAS Name: N-[4-[(4E)-3-methyl-4-[(methylthio)methylidene]-5-oxo-1-pyrazolyl]phenyl]decanamide IUPAC Name: N-[4-[(4E)-3-methyl-4-(methylsulfanylmethylidene)-5-oxopyrazol-1-yl]phenyl]decanamide Traditional Name: N-[4-[(4E)-5-keto-3-methyl-4-[(methylthio)methylene]-2-pyrazolin-1-yl]phenyl]capramide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC=C(C=C1)N2C(=O)C(=CSC)C(=N2)C

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)N2C(=O)/C(=C/SC)/C(=N2)C

InChI

InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-9-10-11-21(26)23-18-12-14-19(15-13-18)25-22(27)20(16-28-3)17(2)24-25/h12-16H,4-11H2,1-3H3,(H,23,26)/b20-16+