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Details

Stereochemistry ACHIRAL
Molecular Formula C19H20N6O5S
Molecular Weight 444.464
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-

SMILES

CC(=O)NC1=CC(=CC=C1\N=N/C2=C3C=C(C=CC3=NS2)[N+]([O-])=O)N(CCO)CCO

InChI

InChIKey=JGQCLEVYGZXEAQ-DQRAZIAOSA-N
InChI=1S/C19H20N6O5S/c1-12(28)20-18-11-13(24(6-8-26)7-9-27)2-5-17(18)21-22-19-15-10-14(25(29)30)3-4-16(15)23-31-19/h2-5,10-11,26-27H,6-9H2,1H3,(H,20,28)/b22-21-

HIDE SMILES / InChI

Molecular Formula C19H20N6O5S
Molecular Weight 444.464
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
L97R7Y8WEF
Record Status Validated (UNII)
Record Version