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Home > Encyclopedia > 4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile structure

4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile 

structure
  • CAS No:

    676332-92-6

  • Formula:

    C21H14BrN5S

  • Chemical Name:

    4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

  • Synonyms:

    676332-92-6;C21H14BrN5S;ZINC2260158;STL338682;AKOS002192200;MCULE-7800904187;4-({[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile;ST50085748;4-(((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)METHYL)BENZONITRILE;4-(((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile;4-{[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-ylthio]methyl}benzenecarbo nitrile

4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Basic Attributes

448.3 g/mol

447.01533 g/mol

Characteristics

92.7 Ų

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:448.3
XLogP3:4.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:447.01533
Monoisotopic Mass:447.01533
Topological Polar Surface Area:92.7
Heavy Atom Count:28
Complexity:538
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

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