4CN

1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one

Created:	2015-02-27
Last modified:	2015-06-24

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1 entries where 4CN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

2D diagram of 4CN

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Chemical Component Summary
Name	1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one
Systematic Name (OpenEye OEToolkits)	1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one
Formula	C₁₃ H₁₂ N₂ O S
Molecular Weight	244.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1scc(n1)c3cc2CC(N(c2cc3)C)=O
SMILES	CACTVS	3.385	CN1C(=O)Cc2cc(ccc12)c3csc(C)n3
SMILES	OpenEye OEToolkits	1.9.2	Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C
Canonical SMILES	CACTVS	3.385	CN1C(=O)Cc2cc(ccc12)c3csc(C)n3
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C
InChI	InChI	1.03	InChI=1S/C13H12N2OS/c1-8-14-11(7-17-8)9-3-4-12-10(5-9)6-13(16)15(12)2/h3-5,7H,6H2,1-2H3
InChIKey	InChI	1.03	ZBEXFNOIOKBKIV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9398573
ChEMBL	CHEMBL3775440

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