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

Systemtic Name: 1-(3-ethylsulfinylpropyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(3-ethylsulfinylpropyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(3-ethylsulfinylpropyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(3-ethylsulfinylpropyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(3-ethylsulfinylpropyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Formula: C21H21F3N2O2S MolecularWeight: 422.46385

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H21F3N2O2S/c1-2-29(28)12-6-11-26-18-10-9-16(21(22,23)24)13-17(18)20(25-14-19(26)27)15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3