I1B

6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Created:	2022-02-08
Last modified:	2023-01-25

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	14

2D diagram of I1B

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Chemical Component Summary
Name	6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Synonyms	5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
Systematic Name (OpenEye OEToolkits)	6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula	C₁₀ H₉ N₃ S
Molecular Weight	203.264
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(C)c2n3cnnc3sc2c1
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c2c(c1)sc3n2cnn3)C
Canonical SMILES	CACTVS	3.385	Cc1cc(C)c2n3cnnc3sc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c2c(c1)sc3n2cnn3)C
InChI	InChI	1.06	InChI=1S/C10H9N3S/c1-6-3-7(2)9-8(4-6)14-10-12-11-5-13(9)10/h3-5H,1-2H3
InChIKey	InChI	1.06	OSXXJJFPJYFCPT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	326031

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