5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-ethyl-3-methyl-pyrazole-4-carbaldehyde

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-ethyl-3-methyl-pyrazole-4-carbaldehyde Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-3-methyl-pyrazole-4-carbaldehyde CAS Name: 5-[(3,5-dichlorophenyl)thio]-1-ethyl-3-methyl-4-pyrazolecarboxaldehyde IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazole-4-carbaldehyde Traditional Name: 5-[(3,5-dichlorophenyl)thio]-1-ethyl-3-methyl-pyrazole-4-carbaldehyde Formula: C13H12Cl2N2OS MolecularWeight: 315.21818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C=O)SC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CCN1C(=C(C(=N1)C)C=O)SC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H12Cl2N2OS/c1-3-17-13(12(7-18)8(2)16-17)19-11-5-9(14)4-10(15)6-11/h4-7H,3H2,1-2H3