1-(2-ethylsulfinylethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(2-ethylsulfinylethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(2-ethylsulfinylethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(2-ethylsulfinylethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(2-ethylsulfinylethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(2-ethylsulfinylethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Formula: C20H19F3N2O2S MolecularWeight: 408.43727

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H19F3N2O2S/c1-2-28(27)11-10-25-17-9-8-15(20(21,22)23)12-16(17)19(24-13-18(25)26)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3