A1ASU

5-(4-methoxyphenyl)-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-1,2,3-triazole

Created:2024-05-20
Last modified:  2025-04-16

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count44
Aromatic Bond Count22
2D diagram of A1ASU

Chemical Component Summary

Name5-(4-methoxyphenyl)-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-1,2,3-triazole
Systematic Name (OpenEye OEToolkits)4-[4-[5-(4-methoxyphenyl)-1,2,3-triazol-1-yl]phenyl]-2-methyl-1,3-thiazole
FormulaC19 H16 N4 O S
Molecular Weight348.422
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1nc(cs1)c1ccc(cc1)n1nncc1c1ccc(OC)cc1
SMILESCACTVS3.385COc1ccc(cc1)c2cnnn2c3ccc(cc3)c4csc(C)n4
SMILESOpenEye OEToolkits2.0.7Cc1nc(cs1)c2ccc(cc2)n3c(cnn3)c4ccc(cc4)OC
Canonical SMILESCACTVS3.385 COc1ccc(cc1)c2cnnn2c3ccc(cc3)c4csc(C)n4
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1nc(cs1)c2ccc(cc2)n3c(cnn3)c4ccc(cc4)OC
InChIInChI1.06 InChI=1S/C19H16N4OS/c1-13-21-18(12-25-13)14-3-7-16(8-4-14)23-19(11-20-22-23)15-5-9-17(24-2)10-6-15/h3-12H,1-2H3
InChIKeyInChI1.06 RMUUJAGEOBVVMZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 4797543