O-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl] N-phenylcarbamothioate

Systemtic Name: O-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl] N-phenylcarbamothioate Openeye Name: O-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl] ester IUPAC Name: O-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl] ester Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC(=S)NC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H16BrN3O2S/c1-21-15(12-24-18(25)20-13-8-4-2-5-9-13)16(19)17(23)22(21)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,25)