ZFG

4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline

Created:	2021-04-16
Last modified:	2024-09-27

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2 entries where ZFG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	11

2D diagram of ZFG

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Chemical Component Summary
Name	4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline
Systematic Name (OpenEye OEToolkits)	4-[5-[(~{E})-but-2-en-2-yl]thiophen-2-yl]-~{N},~{N}-dimethyl-aniline
Formula	C₁₆ H₁₉ N S
Molecular Weight	257.394
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C/C(=C\C)c1ccc(s1)c1ccc(cc1)N(C)C
SMILES	CACTVS	3.385	CC=C(C)c1sc(cc1)c2ccc(cc2)N(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC=C(C)c1ccc(s1)c2ccc(cc2)N(C)C
Canonical SMILES	CACTVS	3.385	C\C=C(/C)c1sc(cc1)c2ccc(cc2)N(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N(C)C
InChI	InChI	1.03	InChI=1S/C16H19NS/c1-5-12(2)15-10-11-16(18-15)13-6-8-14(9-7-13)17(3)4/h5-11H,1-4H3/b12-5+
InChIKey	InChI	1.03	AMMZMSCAYJQWSM-LFYBBSHMSA-N

Related Resource References

Resource Name	Reference
PubChem	162394539

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