TT6

4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile

Created:	2023-01-12
Last modified:	2023-05-24

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1 entries where TT6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	11

2D diagram of TT6

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Chemical Component Summary
Name	4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile
Systematic Name (OpenEye OEToolkits)	4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile
Formula	C₁₂ H₁₁ N₃ S
Molecular Weight	229.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1nc(N)sc1Cc2ccc(cc2)C#N
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)N)Cc2ccc(cc2)C#N
Canonical SMILES	CACTVS	3.385	Cc1nc(N)sc1Cc2ccc(cc2)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)N)Cc2ccc(cc2)C#N
InChI	InChI	1.06	InChI=1S/C12H11N3S/c1-8-11(16-12(14)15-8)6-9-2-4-10(7-13)5-3-9/h2-5H,6H2,1H3,(H2,14,15)
InChIKey	InChI	1.06	GRAVLCQUTREOOB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	43431832

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