5-bromanylpentyl 2-dodecyl-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbodithioate

Systemtic Name: 5-bromanylpentyl 2-dodecyl-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbodithioate Openeye Name: 5-bromopentyl 2-dodecyl-5-methyl-3-oxo-1H-pyrazole-4-carbodithioate CAS Name: 2-dodecyl-5-methyl-3-oxo-1H-pyrazole-4-carbodithioic acid 5-bromopentyl ester IUPAC Name: 5-bromopentyl 2-dodecyl-5-methyl-3-oxo-1H-pyrazole-4-carbodithioate Traditional Name: 5-keto-1-lauryl-3-methyl-3-pyrazoline-4-carbodithioic acid 5-bromopentyl ester Formula: C22H39BrN2OS2 MolecularWeight: 491.59186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCBr

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCBr

InChI

InChI=1S/C22H39BrN2OS2/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(26)20(19(2)24-25)22(27)28-18-15-12-13-16-23/h24H,3-18H2,1-2H3