5VM

5-chloranyl-3~{H}-1,3-benzoxazole-2-thione

Created:	2015-12-09
Last modified:	2016-04-27

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2 entries where 5VM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of 5VM

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Chemical Component Summary
Name	5-chloranyl-3~{H}-1,3-benzoxazole-2-thione
Systematic Name (OpenEye OEToolkits)	5-chloranyl-3~{H}-1,3-benzoxazole-2-thione
Formula	C₇ H₄ Cl N O S
Molecular Weight	185.631
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc2OC(=S)Nc2c1
SMILES	OpenEye OEToolkits	2.0.4	c1cc2c(cc1Cl)NC(=S)O2
Canonical SMILES	CACTVS	3.385	Clc1ccc2OC(=S)Nc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc2c(cc1Cl)NC(=S)O2
InChI	InChI	1.03	InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChIKey	InChI	1.03	BOBIZYYFYLLRAH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	31551, 708870
ChEMBL	CHEMBL99703

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