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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13ClN4S
Molecular Weight 328.819
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-CHLOROPHENYL)-2-ETHYL-6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE

SMILES

CCC1=CC2=C(S1)N3C=NN=C3CN=C2C4=CC=CC=C4Cl

InChI

InChIKey=NQSSWDKQLVBUQN-UHFFFAOYSA-N
InChI=1S/C16H13ClN4S/c1-2-10-7-12-15(11-5-3-4-6-13(11)17)18-8-14-20-19-9-21(14)16(12)22-10/h3-7,9H,2,8H2,1H3

HIDE SMILES / InChI
Molecular Formula C16H13ClN4S
Molecular Weight 328.819
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139,594
Substance Class Chemical
Record UNII
K1C6XI9LLX
Record Status Validated (UNII)
Record Version
NIH
NCATS
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