7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one

CAS Registry Number®

71735-92-7

CAS Name

7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one

Molecular Formula

C18H13ClFN3OS

Molecular Mass

373.83

Cite this Page

7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71735-92-7 (retrieved 2025-05-14) (CAS RN: 71735-92-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H13ClFN3OS/c19-12-5-6-16-14(9-12)18(13-3-1-2-4-15(13)20)22-10-17(24)23(16)8-7-21-11-25/h1-6,9H,7-8,10H2

InChIKey

InChIKey=LTKSVYFAUMFQML-UHFFFAOYSA-N

SMILES

C(CN=C=S)N1C=2C(C(=NCC1=O)C3=C(F)C=CC=C3)=CC(Cl)=CC2

Canonical SMILES

O=C1N(C=2C=CC(Cl)=CC2C(=NC1)C=3C=CC=CC3F)CCN=C=S

Other Names for this Substance

  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-
  • 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one
  • Irazepine

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