4-(dimethylaminomethylidene)-3-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-5-one

Systemtic Name: 4-(dimethylaminomethylidene)-3-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-5-one Openeye Name: 4-(dimethylaminomethylene)-3-(2-pyridylsulfanylmethyl)-1H-pyrazol-5-one CAS Name: 4-(dimethylaminomethylidene)-3-[(2-pyridinylthio)methyl]-1H-pyrazol-5-one IUPAC Name: 4-(dimethylaminomethylidene)-3-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-5-one Traditional Name: 4-(dimethylaminomethylene)-5-[(2-pyridylthio)methyl]-2-pyrazolin-3-one Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C1C(=NNC1=O)CSC2=CC=CC=N2

Isomeric SMILES

CN(C)C=C1C(=NNC1=O)CSC2=CC=CC=N2

InChI

InChI=1S/C12H14N4OS/c1-16(2)7-9-10(14-15-12(9)17)8-18-11-5-3-4-6-13-11/h3-7H,8H2,1-2H3,(H,15,17)