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Details

Stereochemistry RACEMIC
Molecular Formula C17H19N3OS
Molecular Weight 313.417
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NELONICLINE

SMILES

C1[C@H]2C[C@@H]3CN(C2)C[C@H]1[C@@H]3OC4=NN=C(S4)C5=CC=CC=C5

InChI

InChIKey=QZDCYUCETTWCMO-WTGKZIDZSA-N
InChI=1S/C17H19N3OS/c1-2-4-12(5-3-1)16-18-19-17(22-16)21-15-13-6-11-7-14(15)10-20(8-11)9-13/h1-5,11,13-15H,6-10H2/t11-,13-,14+,15-

HIDE SMILES / InChI

Molecular Formula C17H19N3OS
Molecular Weight 313.417
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WX8LOM674D
Record Status Validated (UNII)
Record Version