3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)-1H-pyrazol-5-one

Systemtic Name: 3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)-1H-pyrazol-5-one Openeye Name: 3-[(4-chloro-2,5-dimethyl-phenyl)sulfanylmethyl]-4-(dimethylaminomethylene)-1H-pyrazol-5-one CAS Name: 3-[[(4-chloro-2,5-dimethylphenyl)thio]methyl]-4-(dimethylaminomethylidene)-1H-pyrazol-5-one IUPAC Name: 3-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)-1H-pyrazol-5-one Traditional Name: 5-[[(4-chloro-2,5-dimethyl-phenyl)thio]methyl]-4-(dimethylaminomethylene)-2-pyrazolin-3-one Formula: C15H18ClN3OS MolecularWeight: 323.84092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)SCC2=NNC(=O)C2=CN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)SCC2=NNC(=O)C2=CN(C)C

InChI

InChI=1S/C15H18ClN3OS/c1-9-6-14(10(2)5-12(9)16)21-8-13-11(7-19(3)4)15(20)18-17-13/h5-7H,8H2,1-4H3,(H,18,20)