T07

5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine

Created:	2009-09-01
Last modified:	2011-06-04

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1 entries where T07 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of T07

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Chemical Component Summary
Name	5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine
Systematic Name (OpenEye OEToolkits)	5-[(2,4-dichlorophenyl)methylsulfanyl]-4H-1,2,4-triazol-3-amine
Formula	C₉ H₈ Cl₂ N₄ S
Molecular Weight	275.158
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	Clc1ccc(c(Cl)c1)CSc2nnc(N)n2
SMILES	CACTVS	3.352	Nc1[nH]c(SCc2ccc(Cl)cc2Cl)nn1
SMILES	OpenEye OEToolkits	1.7.0	c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N
Canonical SMILES	CACTVS	3.352	Nc1[nH]c(SCc2ccc(Cl)cc2Cl)nn1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N
InChI	InChI	1.03	InChI=1S/C9H8Cl2N4S/c10-6-2-1-5(7(11)3-6)4-16-9-13-8(12)14-15-9/h1-3H,4H2,(H3,12,13,14,15)
InChIKey	InChI	1.03	ZOVIHJUPKVOGKF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	737273
ChEMBL	CHEMBL569750

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