3-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)-1H-pyrazol-5-one

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)-1H-pyrazol-5-one Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylene)-1H-pyrazol-5-one CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-4-(dimethylaminomethylidene)-1H-pyrazol-5-one IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)-1H-pyrazol-5-one Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-4-(dimethylaminomethylene)-2-pyrazolin-3-one Formula: C13H14ClN3OS MolecularWeight: 295.78776

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C1C(=NNC1=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CN(C)C=C1C(=NNC1=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3OS/c1-17(2)7-11-12(15-16-13(11)18)8-19-10-5-3-9(14)4-6-10/h3-7H,8H2,1-2H3,(H,16,18)