N-(4-bromanyl-2-cyano-phenyl)-2-(diethoxyphosphorylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-(4-bromanyl-2-cyano-phenyl)-2-(diethoxyphosphorylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-(4-bromo-2-cyano-phenyl)-2-(diethoxyphosphorylmethyl)-4-phenyl-thiazole-5-carboxamide CAS Name: N-(4-bromo-2-cyanophenyl)-2-(diethoxyphosphorylmethyl)-4-phenyl-5-thiazolecarboxamide IUPAC Name: N-(4-bromo-2-cyanophenyl)-2-(diethoxyphosphorylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-(4-bromo-2-cyano-phenyl)-2-(diethoxyphosphorylmethyl)-4-phenyl-thiazole-5-carboxamide Formula: C22H21BrN3O4PS MolecularWeight: 534.362601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2)Br)C#N)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOP(=O)(CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2)Br)C#N)C3=CC=CC=C3)OCC

InChI

InChI=1S/C22H21BrN3O4PS/c1-3-29-31(28,30-4-2)14-19-26-20(15-8-6-5-7-9-15)21(32-19)22(27)25-18-11-10-17(23)12-16(18)13-24/h5-12H,3-4,14H2,1-2H3,(H,25,27)