N-[4,6-bis(oxidanylidene)-1-phenethyl-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

Systemtic Name: N-[4,6-bis(oxidanylidene)-1-phenethyl-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide Openeye Name: N-[4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide CAS Name: N-[4,6-dioxo-1-phenethyl-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide IUPAC Name: N-[4,6-dioxo-1-phenethyl-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide Traditional Name: N-[4,6-diketo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide Formula: C22H17F3N4O3S MolecularWeight: 474.45559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17F3N4O3S/c23-22(24,25)21(28-17(30)14-9-5-2-6-10-14)15-16(26-19(21)32)29(20(33)27-18(15)31)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,26,32)(H,28,30)(H,27,31,33)