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Details

Stereochemistry RACEMIC
Molecular Formula C23H16F3N5OS
Molecular Weight 467.466
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-2-YL)-7H-BENZO(4,5)IMIDAZO(2,1-B)BENZO(4,5)IMIDAZO(2,1-D)(1,3,5)THIADIAZINE

SMILES

CC1=C(OCC(F)(F)F)C=CN=C1C2SC3=NC4=C(C=CC=C4)N3C5=NC6=C(C=CC=C6)N25

InChI

InChIKey=ONVUPIVJYYHEPF-UHFFFAOYSA-N
InChI=1S/C23H16F3N5OS/c1-13-18(32-12-23(24,25)26)10-11-27-19(13)20-30-16-8-4-2-6-14(16)28-21(30)31-17-9-5-3-7-15(17)29-22(31)33-20/h2-11,20H,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C23H16F3N5OS
Molecular Weight 467.466
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
QV74ZNK2BF
Record Status Validated (UNII)
Record Version