HZT

~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

Created: 2019-01-08
Last modified:  2019-05-01

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count16
2D diagram of HZT

Chemical Component Summary

Name~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
Systematic Name (OpenEye OEToolkits)~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
FormulaC14 H13 F N4 O2 S2
Molecular Weight352.407
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Fc1ccc(CN(Cc2[nH]ncn2)[S](=O)(=O)c3sccc3)cc1
SMILESOpenEye OEToolkits2.0.6c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3
Canonical SMILESCACTVS3.385 Fc1ccc(CN(Cc2[nH]ncn2)[S](=O)(=O)c3sccc3)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3
InChIInChI1.03 InChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18)
InChIKeyInChI1.03 UGVZRLMKBSBNEC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 46209555