(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl pyrrolidine-1-carbodithioate

Systemtic Name: (4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl pyrrolidine-1-carbodithioate Openeye Name: (4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid (4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid (4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl ester Formula: C16H18BrN3OS2 MolecularWeight: 412.36762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=S)N3CCCC3

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=S)N3CCCC3

InChI

InChI=1S/C16H18BrN3OS2/c1-18-13(11-23-16(22)19-9-5-6-10-19)14(17)15(21)20(18)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3