Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H15Cl2N3O.CH4O3S |
Molecular Weight | 456.343 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.OC(CN1C=NC=N1)(C(=C)C2=C(Cl)C=CC=C2)C3=CC=C(Cl)C=C3
InChI
InChIKey=YGEWFSCDLQLUFV-UHFFFAOYSA-N
InChI=1S/C18H15Cl2N3O.CH4O3S/c1-13(16-4-2-3-5-17(16)20)18(24,10-23-12-21-11-22-23)14-6-8-15(19)9-7-14;1-5(2,3)4/h2-9,11-12,24H,1,10H2;1H3,(H,2,3,4)
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H15Cl2N3O |
Molecular Weight | 360.237 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:52:19 UTC 2023
by
admin
on
Fri Dec 15 15:52:19 UTC 2023
|
Record UNII |
F8D1FG2B09
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Systematic Name | English |
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6918175
Created by
admin on Fri Dec 15 15:52:20 UTC 2023 , Edited by admin on Fri Dec 15 15:52:20 UTC 2023
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F8D1FG2B09
Created by
admin on Fri Dec 15 15:52:20 UTC 2023 , Edited by admin on Fri Dec 15 15:52:20 UTC 2023
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147821-45-2
Created by
admin on Fri Dec 15 15:52:19 UTC 2023 , Edited by admin on Fri Dec 15 15:52:19 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |