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Details

Stereochemistry ACHIRAL
Molecular Formula C14H14N3S.Cl
Molecular Weight 291.8006
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Azure A

SMILES

[Cl-].CN(C)C1=CC=C2N=C3C=CC(N)=CC3=[S+]C2=C1

InChI

InChIKey=PGWTYMLATMNCCZ-UHFFFAOYSA-M
InChI=1S/C14H14N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8H,15H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C14H14N3S
Molecular Weight 256.3477
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cl
Molecular Weight 35.4529
Charge -1
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

Substance Class Chemical
Record UNII
M731V243EF
Record Status FAILED
Record Version