W3M

1H-imidazole-5-carbonitrile

Created:	2020-09-24
Last modified:	2021-01-13

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3 entries where W3M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	10
Chiral Atom Count	0
Bond Count	10
Aromatic Bond Count	5

2D diagram of W3M

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Chemical Component Summary
Name	1H-imidazole-5-carbonitrile
Systematic Name (OpenEye OEToolkits)	1~{H}-imidazole-5-carbonitrile
Formula	C₄ H₃ N₃
Molecular Weight	93.087
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cncc1C#N
SMILES	CACTVS	3.385	N#Cc1[nH]cnc1
SMILES	OpenEye OEToolkits	2.0.7	c1c([nH]cn1)C#N
Canonical SMILES	CACTVS	3.385	N#Cc1[nH]cnc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c([nH]cn1)C#N
InChI	InChI	1.03	InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)
InChIKey	InChI	1.03	NWVGXXPWOYZODV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	564457
CCDC/CSD	FOHHOA

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