N-(4-bromanyl-2-cyano-phenyl)-5-(diethoxyphosphorylmethyl)-N-(phenylmethyl)thiophene-2-carboxamide

Systemtic Name: N-(4-bromanyl-2-cyano-phenyl)-5-(diethoxyphosphorylmethyl)-N-(phenylmethyl)thiophene-2-carboxamide Openeye Name: N-benzyl-N-(4-bromo-2-cyano-phenyl)-5-(diethoxyphosphorylmethyl)thiophene-2-carboxamide CAS Name: N-(4-bromo-2-cyanophenyl)-5-(diethoxyphosphorylmethyl)-N-(phenylmethyl)-2-thiophenecarboxamide IUPAC Name: N-benzyl-N-(4-bromo-2-cyanophenyl)-5-(diethoxyphosphorylmethyl)thiophene-2-carboxamide Traditional Name: N-benzyl-N-(4-bromo-2-cyano-phenyl)-5-(diethoxyphosphorylmethyl)thiophene-2-carboxamide Formula: C24H24BrN2O4PS MolecularWeight: 547.401121

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(S1)C(=O)N(CC2=CC=CC=C2)C3=C(C=C(C=C3)Br)C#N)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(S1)C(=O)N(CC2=CC=CC=C2)C3=C(C=C(C=C3)Br)C#N)OCC

InChI

InChI=1S/C24H24BrN2O4PS/c1-3-30-32(29,31-4-2)17-21-11-13-23(33-21)24(28)27(16-18-8-6-5-7-9-18)22-12-10-20(25)14-19(22)15-26/h5-14H,3-4,16-17H2,1-2H3