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7-Chloro-2,3-dihydro-5-phenyl-3-[(thienyl-2)methylene]-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID ATYWIXvwHW7
InChI InChI=1S/C20H13ClN2OS/c21-14-8-9-17-16(11-14)19(13-5-2-1-3-6-13)22-18(20(24)23-17)12-15-7-4-10-25-15/h1-12H,(H,23,24)/b18-12+
InChIKey IJQSNAVLKWRADZ-LDADJPATSA-N
Mol Weight 364.85 g/mol
Molecular Formula C20H13ClN2OS
Exact Mass 364.043712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6JWqv9QtGV
Name 7-Chloro-2,3-dihydro-5-phenyl-3-[(thienyl-2)methylene]-1H-1,4-benzodiazepin-2-one
Alternate Name(s) (3E)-7-Chloro-5-phenyl-3-(2-thienylmethylene)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS Registry Number 55056-39-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13ClN2OS
InChI InChI=1S/C20H13ClN2OS/c21-14-8-9-17-16(11-14)19(13-5-2-1-3-6-13)22-18(20(24)23-17)12-15-7-4-10-25-15/h1-12H,(H,23,24)/b18-12+
InChIKey IJQSNAVLKWRADZ-LDADJPATSA-N
Molecular Weight 364.850 g/mol
SMILES N1C(\C(N=C(c2c1ccc(c2)Cl)c1ccccc1)=C/c1cccs1)=O
SPLASH splash10-03xr-2209000000-4ea7c1306713a241d609
Source of Spectrum W5-1989-36691-28845
Wiley ID 1350741