(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate

Systemtic Name: (4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate Openeye Name: (4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic 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 N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl ester Formula: C16H20BrN3OS2 MolecularWeight: 414.3835

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br

Isomeric SMILES

CCN(CC)C(=S)SCC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br

InChI

InChI=1S/C16H20BrN3OS2/c1-4-19(5-2)16(22)23-11-13-14(17)15(21)20(18(13)3)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3