4-bromanyl-N-[2-(2-cyanoethyl)-4-dimethoxyphosphinothioyl-5-methyl-pyrazol-3-yl]benzamide

Systemtic Name: 4-bromanyl-N-[2-(2-cyanoethyl)-4-dimethoxyphosphinothioyl-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 4-bromo-N-[2-(2-cyanoethyl)-4-dimethoxyphosphinothioyl-5-methyl-pyrazol-3-yl]benzamide CAS Name: 4-bromo-N-[2-(2-cyanoethyl)-4-dimethoxyphosphinothioyl-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 4-bromo-N-[2-(2-cyanoethyl)-4-dimethoxyphosphinothioyl-5-methylpyrazol-3-yl]benzamide Traditional Name: 4-bromo-N-[2-(2-cyanoethyl)-4-dimethoxythiophosphoryl-5-methyl-pyrazol-3-yl]benzamide Formula: C16H18BrN4O3PS MolecularWeight: 457.281881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1P(=S)(OC)OC)NC(=O)C2=CC=C(C=C2)Br)CCC#N

Isomeric SMILES

CC1=NN(C(=C1P(=S)(OC)OC)NC(=O)C2=CC=C(C=C2)Br)CCC#N

InChI

InChI=1S/C16H18BrN4O3PS/c1-11-14(25(26,23-2)24-3)15(21(20-11)10-4-9-18)19-16(22)12-5-7-13(17)8-6-12/h5-8H,4,10H2,1-3H3,(H,19,22)