GOC

N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide

Created:2020-09-15
Last modified:  2021-01-27

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count60
Aromatic Bond Count23
2D diagram of GOC

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Chemical Component Summary

NameN-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
Systematic Name (OpenEye OEToolkits)~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
FormulaC27 H23 N3 O2 S
Molecular Weight453.555
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5)c(C)c1
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5
Canonical SMILESCACTVS3.385 Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5)c(C)c1
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5
InChIInChI1.03 InChI=1S/C27H23N3O2S/c1-17-8-13-24(18(2)14-17)30-26(22-15-33-16-23(22)29-30)28-27(32)21-11-9-20(10-12-21)25(31)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,28,32)
InChIKeyInChI1.03 XTWGDUKLCYCIKR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 3364232