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Details

Stereochemistry ACHIRAL
Molecular Formula C18H13ClFN3OS
Molecular Weight 373.832
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of IRAZEPINE

SMILES

FC1=C(C=CC=C1)C2=NCC(=O)N(CCN=C=S)C3=CC=C(Cl)C=C23

InChI

InChIKey=LTKSVYFAUMFQML-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C18H13ClFN3OS
Molecular Weight 373.832
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
8ESB4CKN8K
Record Status Validated (UNII)
Record Version